| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 58.8 | Low | 60.8 | Low | 235 Ų | 235 | 165.3 Ų | 165.3 | 100% | 1.158 | 87% | 0.865 | S | S | * | * | 0 | 93.6 | 0 | -63.7 | -63.1 | -176.3 | 0 | 0 | 107.7 | |||||
| 2 | L | 50.4 | Low | 61.1 | Low | 181 Ų | 181 | 163.7 Ų | 163.7 | 95% | 0.948 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 123.6 | 175.4 | -85.5 | 91.4 | 0 | 0 | 0 | 108.9 | ||
| 3 | T | 69 | Low | 60.9 | Low | 130 Ų | 130 | 162.5 Ų | 162.5 | 80% | 0.798 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 141.7 | 174.1 | 52.6 | 0 | 0 | 0 | 0 | 109.9 | ||
| 4 | P | 60.5 | Low | 60.1 | Low | 126 Ų | 126 | 158.1 Ų | 158.1 | 82% | 0.818 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 140 | 176 | 32 | -30.6 | 0 | 0 | 0 | 111.1 | ||
| 5 | S | 62.2 | Low | 59.6 | Low | 102 Ų | 102 | 156.9 Ų | 156.9 | 71% | 0.713 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 153.1 | 179.4 | 64.5 | 0 | 0 | 0 | 0 | 112.9 | ||
| 6 | P | 65.2 | Low | 59.5 | Low | 124 Ų | 124 | 155.2 Ų | 155.2 | 81% | 0.805 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 133.6 | -178.5 | 31.6 | -32.8 | 0 | 0 | 0 | 111.5 | Q8 | P6-Q8 PolarHBondContact O-N 3.25Š|
| 7 | V | 64.3 | Low | 59.2 | Low | 135 Ų | 135 | 151.6 Ų | 151.6 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 118.9 | 174.7 | -179.9 | 0 | 0 | 0 | 0 | 109.3 | R9 | V7-R9 PolarHBondContact O-N 3.39Š|
| 8 | Q | 60.3 | Low | 59.1 | Low | 186 Ų | 186 | 150.8 Ų | 150.8 | 87% | 0.869 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 124.5 | 171.7 | -77.1 | 171.1 | -12.1 | 0 | 0 | 110.1 | P6 | P6-Q8 PolarHBondContact O-N 3.25Š|
| 9 | R | 57 | Low | 59.3 | Low | 233 Ų | 233 | 149.7 Ų | 149.7 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -84 | 140 | 173.6 | -62.8 | -178.5 | -168.6 | -113.4 | 2.1 | 110.1 | V7 | V7-R9 PolarHBondContact O-N 3.39Š|
| 10 | P | 61.6 | Low | 59 | Low | 120 Ų | 120 | 148.6 Ų | 148.6 | 78% | 0.779 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 146.6 | 176.2 | 28.9 | -33.1 | 0 | 0 | 0 | 111.2 | ||
| 11 | R | 59.3 | Low | 58.7 | Low | 246 Ų | 246 | 144.5 Ų | 144.5 | 93% | 0.928 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -73 | 122.3 | 179.1 | -62.4 | -173.1 | -179.6 | -167.6 | 0.3 | 109.7 | ||
| 12 | I | 64.6 | Low | 58.5 | Low | 146 Ų | 146 | 143.6 Ų | 143.6 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 125 | 170.8 | -58.7 | 174.1 | 0 | 0 | 0 | 107.5 | ||
| 13 | I | 59.2 | Low | 58.9 | Low | 148 Ų | 148 | 144 Ų | 144 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | trans | -83.1 | 111.8 | 172.3 | -51.2 | 172.3 | 0 | 0 | 0 | 106.4 | ||||
| 14 | S | 49.7 | Very low | 58.1 | Low | 101 Ų | 101 | 143.4 Ų | 143.4 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | trans | -101.9 | 92.9 | 179.3 | 56.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 15 | D | 51.5 | Low | 57.5 | Low | 141 Ų | 141 | 141.3 Ų | 141.3 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | trans | -138.7 | 72.1 | 175 | -71.6 | -41.4 | 0 | 0 | 0 | 111.8 | ||||
| 16 | V | 58.8 | Low | 57.3 | Low | 129 Ų | 129 | 141.7 Ų | 141.7 | 78% | 0.782 | 80% | 0.8 | S | S | * | * | trans | -139.8 | 97.8 | 152.2 | 178.9 | 0 | 0 | 0 | 0 | 108.1 | I18 | V16-I18 HydrophobicContact CG1-CD1 4.5Å; V16-I18 HydrophobicContact CG1-CG1 3.85Å; V16-I18 PolarHBondContact O-N 3.44Å | ||
| 17 | A | 54.6 | Low | 56.7 | Low | 94 Ų | 94 | 148.3 Ų | 148.3 | 78% | 0.777 | 81% | 0.809 | S | S | * | * | trans | -80.1 | 101.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | T19 | A17-T19 PolarHBondContact O-N 2.91Š| ||
| 18 | I | 57.9 | Low | 56.3 | Low | 137 Ų | 137 | 145.7 Ų | 145.7 | 70% | 0.703 | 80% | 0.802 | S | S | * | * | trans | -86.5 | 100.7 | 165.8 | -52.5 | -177.6 | 0 | 0 | 0 | 107.3 | V16 T20 | V16-I18 HydrophobicContact CG1-CD1 4.5Å; V16-I18 HydrophobicContact CG1-CG1 3.85Å; V16-I18 PolarHBondContact O-N 3.44Å; I18-T20 HydrophobicContact CG2-CG2 3.91Å; I18-T20 PolarHBondContact O-N 2.94Å | ||
| 19 | T | 62.1 | Low | 56.5 | Low | 130 Ų | 130 | 141.9 Ų | 141.9 | 80% | 0.798 | 80% | 0.795 | S | S | * | * | trans | -84 | 85.7 | 171.4 | 50.6 | 0 | 0 | 0 | 0 | 109.4 | A17 G21 | A17-T19 PolarHBondContact O-N 2.91Å; T19-G21 PolarHBondContact O-N 3.01Å | ||
| 20 | T | 52.9 | Low | 56.4 | Low | 128 Ų | 128 | 137.3 Ų | 137.3 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -78 | 75.4 | 163.5 | 56.5 | 0 | 0 | 0 | 0 | 109.3 | I18 K22 | I18-T20 HydrophobicContact CG2-CG2 3.91Å; I18-T20 PolarHBondContact O-N 2.94Å; T20-K22 PolarHBondContact O-N 3.3Å | ||
| 21 | G | 53.2 | Low | 56.2 | Low | 63 Ų | 63 | 141.8 Ų | 141.8 | 65% | 0.649 | 80% | 0.795 | S | S | * | * | trans | -76.6 | 99.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111 | T19 Q23 | T19-G21 PolarHBondContact O-N 3.01Å; G21-Q23 PolarHBondContact O-N 3.48Å; G21-Q23 VanDerWaalsContact O-N 3.09Å | ||
| 22 | K | 53.8 | Low | 56.2 | Low | 215 Ų | 215 | 135.3 Ų | 135.3 | 94% | 0.935 | 78% | 0.784 | S | S | * | * | trans | -69.5 | 94.3 | 173.3 | -151.6 | 173.3 | -170.3 | 175.4 | 0 | 108.7 | T20 | T20-K22 PolarHBondContact O-N 3.3Š| ||
| 23 | Q | 59.9 | Low | 56.1 | Low | 190 Ų | 190 | 133.7 Ų | 133.7 | 89% | 0.888 | 78% | 0.783 | S | S | * | * | trans | -102.4 | 120.2 | 173.6 | -64 | -150.5 | 17.9 | 0 | 0 | 111 | G21 | G21-Q23 PolarHBondContact O-N 3.48Å; G21-Q23 VanDerWaalsContact O-N 3.09Å | ||
| 24 | S | 52.4 | Low | 56.5 | Low | 117 Ų | 117 | 133.6 Ų | 133.6 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -65.6 | 131.2 | 174.8 | 47.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 25 | G | 46.5 | Very low | 57.3 | Low | 82 Ų | 82 | 131.1 Ų | 131.1 | 85% | 0.845 | 77% | 0.772 | S | S | * | * | trans | 31.7 | 97.4 | 147.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 26 | S | 59.5 | Low | 58.6 | Low | 111 Ų | 111 | 127.6 Ų | 127.6 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | trans | -143.4 | 124.4 | 138.3 | 63.4 | 0 | 0 | 0 | 0 | 108.9 | A28 | S26-A28 VanDerWaalsContact C-N 3.32Å; S26-A28 PolarHBondContact O-N 3.16Å | ||
| 27 | R | 51.7 | Low | 59.7 | Low | 262 Ų | 262 | 128 Ų | 128 | 99% | 0.989 | 76% | 0.755 | S | S | * | * | trans | -68 | 86.3 | 177.4 | -83.7 | 161.6 | 62.5 | 167.9 | -0.9 | 108.9 | ||||
| 28 | A | 55.9 | Low | 61.1 | Low | 81 Ų | 81 | 131.4 Ų | 131.4 | 67% | 0.669 | 75% | 0.748 | S | S | * | * | trans | -81.7 | 126.9 | 169 | 0 | 0 | 0 | 0 | 0 | 109.5 | S26 V30 | S26-A28 VanDerWaalsContact C-N 3.32Å; S26-A28 PolarHBondContact O-N 3.16Å; A28-V30 PolarHBondContact O-N 2.96Å | ||
| 29 | S | 64 | Low | 62.3 | Low | 105 Ų | 105 | 130.1 Ų | 130.1 | 73% | 0.734 | 74% | 0.739 | S | S | * | * | trans | -52.2 | 112.1 | 172.7 | 115.3 | 0 | 0 | 0 | 0 | 109 | R31 | S29-R31 PolarHBondContact O-N 2.93Š| ||
| 30 | V | 56.1 | Low | 63.3 | Low | 137 Ų | 137 | 127.8 Ų | 127.8 | 83% | 0.83 | 72% | 0.721 | S | S | * | * | trans | -67.5 | 101.8 | 176.5 | -179.7 | 0 | 0 | 0 | 0 | 107.4 | A28 | A28-V30 PolarHBondContact O-N 2.96Š| ||
| 31 | R | 56.7 | Low | 65 | Low | 215 Ų | 215 | 127 Ų | 127 | 81% | 0.811 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -63 | 133.4 | 165.7 | -71.6 | 179.8 | 172.2 | -133.7 | -0.3 | 107.1 | S29 | S29-R31 PolarHBondContact O-N 2.93Š|
| 32 | P | 59.4 | Low | 66.7 | Low | 110 Ų | 110 | 129 Ų | 129 | 71% | 0.714 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 139.3 | 174.6 | 26.1 | -32.5 | 0 | 0 | 0 | 108.4 | V34 | P32-V34 PolarHBondContact O-N 3.43Š|
| 33 | P | 63.2 | Low | 68.3 | Low | 111 Ų | 111 | 127.6 Ų | 127.6 | 72% | 0.721 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 136.3 | 174.5 | 25 | -32.5 | 0 | 0 | 0 | 108.3 | S35 | P33-S35 VanDerWaalsContact C-N 3.26Å; P33-S35 PolarHBondContact O-N 2.99Å |
| 34 | V | 66 | Low | 69.7 | Low | 146 Ų | 146 | 128 Ų | 128 | 89% | 0.885 | 69% | 0.686 | S | S | * | * | trans | -63.5 | 96.2 | 167.4 | -74.1 | 0 | 0 | 0 | 0 | 106.7 | P32 S36 | P32-V34 PolarHBondContact O-N 3.43Å; V34-S36 PolarHBondContact O-N 3.31Å | ||
| 35 | S | 67 | Low | 71.5 | Confident | 49 Ų | 49 | 126.7 Ų | 126.7 | 34% | 0.343 | 67% | 0.667 | S | S | . | * | trans | -60.1 | 130.8 | 173.3 | 38.9 | 0 | 0 | 0 | 0 | 107.5 | P33 E39 I40 | P33-S35 VanDerWaalsContact C-N 3.26Å; P33-S35 PolarHBondContact O-N 2.99Å; S35-E39 WeakPolarHBondContact CA-OE2 3.32Å; S35-E39 VanDerWaalsContact CB-OE2 3.27Å; S35-E39 WeakPolarHBondContact CB-OE2 3.38Å; S35-I40 VanDerWaalsContact OG-CG1 3.31Å; S35-I40 WeakPolarHBondContact OG-CG1 3.37Å | ||
| 36 | S | 78.4 | Confident | 73.6 | Confident | 68 Ų | 68 | 129.8 Ų | 129.8 | 48% | 0.476 | 66% | 0.657 | S | S | . | * | trans | -62.6 | 153.4 | 176.8 | 95.7 | 0 | 0 | 0 | 0 | 108.6 | V34 R38 E39 I40 | V34-S36 PolarHBondContact O-N 3.31Å; S36-R38 PolarHBondContact O-N 3.42Å; S36-R38 WeakPolarHBondContact OG-CB 3.48Å; S36-R38 PolarHBondContact OG-N 3.2Å; S36-E39 WeakPolarHBondContact O-CA 3.32Å; S36-E39 WeakPolarHBondContact O-CB 3.34Å; S36-E39 PolarHBondContact O-N 3.01Å; S36-E39 PolarHBondContact OG-N 2.92Å; S36-I40 PolarHBondContact O-N 3.37Å | ||
| 37 | L | 83.2 | Confident | 74.9 | Confident | 136 Ų | 136 | 128.1 Ų | 128.1 | 71% | 0.712 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -49.3 | -34 | 175.2 | -75.6 | 175.8 | 0 | 0 | 0 | 111.8 | E39 I40 E41 | L37-E39 PolarHBondContact O-N 3.36Å; L37-I40 PolarHBondContact O-N 2.9Å; L37-E41 WeakPolarHBondContact O-CB 3.36Å; L37-E41 VanDerWaalsContact O-CG 3.28Å; L37-E41 WeakPolarHBondContact O-CG 3.41Å; L37-E41 PolarHBondContact O-N 3.06Å |
| 38 | R | 84 | Confident | 76.6 | Confident | 167 Ų | 167 | 122.4 Ų | 122.4 | 63% | 0.63 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -63.1 | -40.7 | 176 | -173.8 | 60.1 | 173.9 | -166.7 | 0.7 | 113.2 | S36 L42 | S36-R38 PolarHBondContact O-N 3.42Å; S36-R38 WeakPolarHBondContact OG-CB 3.48Å; S36-R38 PolarHBondContact OG-N 3.2Å; R38-L42 HydrophobicContact CG-CD1 4.21Å; R38-L42 WeakPolarHBondContact O-CB 3.34Å; R38-L42 WeakPolarHBondContact O-CD1 3.4Å; R38-L42 VanDerWaalsContact O-CG 3.3Å; R38-L42 WeakPolarHBondContact O-CG 3.09Å; R38-L42 PolarHBondContact O-N 3.28Å |
| 39 | E | 82.2 | Confident | 78.1 | Confident | 110 Ų | 110 | 126.8 Ų | 126.8 | 51% | 0.514 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -71.5 | -39.4 | 178.1 | -176.1 | 176.1 | -170.5 | 0 | 0 | 111.2 | S35 S36 L37 L42 R43 | S35-E39 WeakPolarHBondContact CA-OE2 3.32Å; S35-E39 VanDerWaalsContact CB-OE2 3.27Å; S35-E39 WeakPolarHBondContact CB-OE2 3.38Å; S36-E39 WeakPolarHBondContact O-CA 3.32Å; S36-E39 WeakPolarHBondContact O-CB 3.34Å; S36-E39 PolarHBondContact O-N 3.01Å; S36-E39 PolarHBondContact OG-N 2.92Å; L37-E39 PolarHBondContact O-N 3.36Å; E39-L42 PolarHBondContact O-N 3.45Å; E39-R43 WeakPolarHBondContact O-CB 3.47Å; E39-R43 PolarHBondContact O-N 3.49Å |
| 40 | I | 83.8 | Confident | 79.2 | Confident | 81 Ų | 81 | 127.6 Ų | 127.6 | 42% | 0.415 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -62 | -45.3 | 174.2 | -58.8 | 177.1 | 0 | 0 | 0 | 110.4 | S35 S36 L37 R43 R44 | S35-I40 VanDerWaalsContact OG-CG1 3.31Å; S35-I40 WeakPolarHBondContact OG-CG1 3.37Å; S36-I40 PolarHBondContact O-N 3.37Å; L37-I40 PolarHBondContact O-N 2.9Å; I40-R43 PolarHBondContact O-N 3.29Å; I40-R44 WeakPolarHBondContact O-CB 3.4Å; I40-R44 PolarHBondContact O-N 3.05Å |
| 41 | E | 87.1 | Confident | 80.5 | Confident | 111 Ų | 111 | 125 Ų | 125 | 52% | 0.519 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.9 | -46.6 | 177.1 | -77.7 | 173.4 | -176.4 | 0 | 0 | 112.4 | L37 R43 R44 E45 | L37-E41 WeakPolarHBondContact O-CB 3.36Å; L37-E41 VanDerWaalsContact O-CG 3.28Å; L37-E41 WeakPolarHBondContact O-CG 3.41Å; L37-E41 PolarHBondContact O-N 3.06Å; E41-R43 VanDerWaalsContact C-N 3.31Å; E41-R43 PolarHBondContact O-N 3Å; E41-R44 WeakPolarHBondContact O-CB 3.47Å; E41-R44 PolarHBondContact O-N 2.75Å; E41-R44 VanDerWaalsContact O-N 3.14Å; E41-E45 PolarHBondContact O-N 3.33Å |
| 42 | L | 89.2 | Confident | 81.6 | Confident | 106 Ų | 106 | 119.9 Ų | 119.9 | 56% | 0.555 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -58.7 | -43.7 | 176.1 | -80.7 | 162.9 | 0 | 0 | 0 | 111.6 | R38 E39 R44 E45 F46 | R38-L42 HydrophobicContact CG-CD1 4.21Å; R38-L42 WeakPolarHBondContact O-CB 3.34Å; R38-L42 WeakPolarHBondContact O-CD1 3.4Å; R38-L42 VanDerWaalsContact O-CG 3.3Å; R38-L42 WeakPolarHBondContact O-CG 3.09Å; R38-L42 PolarHBondContact O-N 3.28Å; E39-L42 PolarHBondContact O-N 3.45Å; L42-R44 VanDerWaalsContact C-N 3.34Å; L42-R44 PolarHBondContact O-N 2.88Å; L42-E45 PolarHBondContact O-N 2.85Å; L42-F46 WeakPolarHBondContact O-CB 3.36Å; L42-F46 PolarHBondContact O-N 3.26Å |
| 43 | R | 87.9 | Confident | 82.5 | Confident | 185 Ų | 185 | 120.7 Ų | 120.7 | 70% | 0.698 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62.7 | -42.3 | 175.8 | -174.9 | 170.6 | 179.4 | -173.6 | -0.3 | 111.2 | E39 I40 E41 F46 L47 | E39-R43 WeakPolarHBondContact O-CB 3.47Å; E39-R43 PolarHBondContact O-N 3.49Å; I40-R43 PolarHBondContact O-N 3.29Å; E41-R43 VanDerWaalsContact C-N 3.31Å; E41-R43 PolarHBondContact O-N 3Å; R43-F46 PolarHBondContact O-N 2.93Å; R43-L47 HydrophobicContact CG-CD1 3.7Å; R43-L47 WeakPolarHBondContact O-CD1 3.27Å; R43-L47 PolarHBondContact O-N 3.41Å |
| 44 | R | 90.4 | Very high | 83.1 | Confident | 199 Ų | 199 | 118.7 Ų | 118.7 | 75% | 0.751 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.2 | -44.4 | 179.5 | -135.8 | 176.3 | 173.6 | -133 | -2.4 | 112.3 | I40 E41 L42 L47 R48 | I40-R44 WeakPolarHBondContact O-CB 3.4Å; I40-R44 PolarHBondContact O-N 3.05Å; E41-R44 WeakPolarHBondContact O-CB 3.47Å; E41-R44 PolarHBondContact O-N 2.75Å; E41-R44 VanDerWaalsContact O-N 3.14Å; L42-R44 VanDerWaalsContact C-N 3.34Å; L42-R44 PolarHBondContact O-N 2.88Å; R44-L47 PolarHBondContact O-N 3.26Å; R44-R48 WeakPolarHBondContact O-CB 3.27Å; R44-R48 PolarHBondContact O-N 3.02Å |
| 45 | E | 89.9 | Confident | 83.2 | Confident | 88 Ų | 88 | 113.7 Ų | 113.7 | 41% | 0.411 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.3 | -38.8 | 174.8 | -90.6 | -68.6 | 131.1 | 0 | 0 | 112.1 | E41 L42 R48 R49 | E41-E45 PolarHBondContact O-N 3.33Å; L42-E45 PolarHBondContact O-N 2.85Å; E45-R48 PolarHBondContact O-N 3.42Å; E45-R48 IonicContact OE1-NH1 3.61Å; E45-R48 PolarHBondContact OE1-NH1 2.87Å; E45-R49 PolarHBondContact O-N 3.48Å |
| 46 | F | 89 | Confident | 83.1 | Confident | 148 Ų | 148 | 118 Ų | 118 | 65% | 0.649 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.2 | -47.9 | 175.3 | -177 | -91.9 | 0 | 0 | 0 | 112.3 | L42 R43 R48 R49 R50 | L42-F46 WeakPolarHBondContact O-CB 3.36Å; L42-F46 PolarHBondContact O-N 3.26Å; R43-F46 PolarHBondContact O-N 2.93Å; F46-R48 VanDerWaalsContact C-N 3.34Å; F46-R48 PolarHBondContact O-N 3.49Å; F46-R49 PolarHBondContact O-N 3.4Å; F46-R50 WeakPolarHBondContact O-CB 3.39Å; F46-R50 PolarHBondContact O-N 3.47Å |
| 47 | L | 88.1 | Confident | 82.2 | Confident | 75 Ų | 75 | 119.6 Ų | 119.6 | 39% | 0.393 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.1 | -41.9 | 176.7 | -86.7 | 116.9 | 0 | 0 | 0 | 111.7 | R43 R44 R49 R50 D51 | R43-L47 HydrophobicContact CG-CD1 3.7Å; R43-L47 WeakPolarHBondContact O-CD1 3.27Å; R43-L47 PolarHBondContact O-N 3.41Å; R44-L47 PolarHBondContact O-N 3.26Å; L47-R49 PolarHBondContact O-N 2.89Å; L47-R50 WeakPolarHBondContact O-CB 3.23Å; L47-R50 PolarHBondContact O-N 3.14Å; L47-D51 VanDerWaalsContact O-CG 3.27Å; L47-D51 PolarHBondContact O-N 3.26Å |
| 48 | R | 87 | Confident | 81.1 | Confident | 143 Ų | 143 | 117.8 Ų | 117.8 | 54% | 0.54 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61 | -43.3 | 176.9 | -174.9 | 178.4 | 175.1 | -126.6 | -4.2 | 112.3 | R44 E45 F46 D51 Q52 | R44-R48 WeakPolarHBondContact O-CB 3.27Å; R44-R48 PolarHBondContact O-N 3.02Å; E45-R48 PolarHBondContact O-N 3.42Å; E45-R48 IonicContact OE1-NH1 3.61Å; E45-R48 PolarHBondContact OE1-NH1 2.87Å; F46-R48 VanDerWaalsContact C-N 3.34Å; F46-R48 PolarHBondContact O-N 3.49Å; R48-D51 PolarHBondContact O-N 3.23Å; R48-Q52 WeakPolarHBondContact O-CG 3.45Å; R48-Q52 PolarHBondContact O-N 2.96Å; R48-Q52 VanDerWaalsContact O-N 3.08Å |
| 49 | R | 87.2 | Confident | 80.1 | Confident | 172 Ų | 172 | 113.8 Ų | 113.8 | 65% | 0.649 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -68.7 | -37.8 | 177.6 | -166.2 | 176.2 | -64.6 | 168.8 | 1.8 | 112.1 | E45 F46 L47 Q52 F53 | E45-R49 PolarHBondContact O-N 3.48Å; F46-R49 PolarHBondContact O-N 3.4Å; L47-R49 PolarHBondContact O-N 2.89Å; R49-Q52 PolarHBondContact O-N 2.98Å; R49-F53 WeakPolarHBondContact O-CB 3.44Å; R49-F53 PolarHBondContact O-N 3.33Å |
| 50 | R | 87.2 | Confident | 79 | Confident | 123 Ų | 123 | 115.2 Ų | 115.2 | 46% | 0.464 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61 | -45.9 | 173.9 | -172.6 | -159.7 | 75.3 | 114.5 | 1.4 | 111.3 | F46 L47 Q52 F53 L54 | F46-R50 WeakPolarHBondContact O-CB 3.39Å; F46-R50 PolarHBondContact O-N 3.47Å; L47-R50 WeakPolarHBondContact O-CB 3.23Å; L47-R50 PolarHBondContact O-N 3.14Å; R50-Q52 VanDerWaalsContact C-N 3.33Å; R50-F53 PolarHBondContact O-N 2.92Å; R50-L54 HydrophobicContact CG-CD1 3.94Å; R50-L54 HydrophobicContact CG-CG 4.41Å; R50-L54 WeakPolarHBondContact O-CB 3.5Å; R50-L54 WeakPolarHBondContact O-CG 3.35Å; R50-L54 PolarHBondContact O-N 3Å |
| 51 | D | 83.3 | Confident | 77.8 | Confident | 83 Ų | 83 | 119.1 Ų | 119.1 | 44% | 0.444 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -68.5 | -34.1 | -179.1 | -66.8 | -12.4 | 0 | 0 | 0 | 111.6 | L47 R48 G55 | L47-D51 VanDerWaalsContact O-CG 3.27Å; L47-D51 PolarHBondContact O-N 3.26Å; R48-D51 PolarHBondContact O-N 3.23Å; D51-G55 PolarHBondContact O-N 3.12Å |
| 52 | Q | 80.5 | Confident | 76.3 | Confident | 106 Ų | 106 | 122.3 Ų | 122.3 | 50% | 0.495 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63 | -48 | 170.4 | -74.4 | 174.5 | -10 | 0 | 0 | 111.9 | R48 R49 R50 G55 E56 | R48-Q52 WeakPolarHBondContact O-CG 3.45Å; R48-Q52 PolarHBondContact O-N 2.96Å; R48-Q52 VanDerWaalsContact O-N 3.08Å; R49-Q52 PolarHBondContact O-N 2.98Å; R50-Q52 VanDerWaalsContact C-N 3.33Å; Q52-G55 PolarHBondContact O-N 3.5Å; Q52-E56 PolarHBondContact O-N 3.39Å |
| 53 | F | 78 | Confident | 74.3 | Confident | 127 Ų | 127 | 122.7 Ų | 122.7 | 56% | 0.557 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -64.6 | -43 | 180 | -177.1 | -108.1 | 0 | 0 | 0 | 112.6 | R49 R50 G55 E56 I57 | R49-F53 WeakPolarHBondContact O-CB 3.44Å; R49-F53 PolarHBondContact O-N 3.33Å; R50-F53 PolarHBondContact O-N 2.92Å; F53-G55 VanDerWaalsContact C-N 3.32Å; F53-E56 PolarHBondContact O-N 3.48Å; F53-I57 HydrophobicContact CD1-CD1 3.55Å; F53-I57 HydrophobicContact CD2-CD1 4.47Å; F53-I57 HydrophobicContact CE1-CD1 3.19Å; F53-I57 HydrophobicContact CE1-CG1 4.43Å; F53-I57 HydrophobicContact CE2-CD1 4.18Å; F53-I57 HydrophobicContact CG-CD1 4.2Å; F53-I57 HydrophobicContact CZ-CD1 3.54Å; F53-I57 HydrophobicContact CZ-CG1 4.47Å; F53-I57 WeakPolarHBondContact O-CG1 3.35Å; F53-I57 PolarHBondContact O-N 3.13Å |
| 54 | L | 75.3 | Confident | 72.6 | Confident | 69 Ų | 69 | 121.1 Ų | 121.1 | 36% | 0.361 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -69 | -32.5 | 175.5 | -70.1 | 174.4 | 0 | 0 | 0 | 112 | R50 I57 S58 | R50-L54 HydrophobicContact CG-CD1 3.94Å; R50-L54 HydrophobicContact CG-CG 4.41Å; R50-L54 WeakPolarHBondContact O-CB 3.5Å; R50-L54 WeakPolarHBondContact O-CG 3.35Å; R50-L54 PolarHBondContact O-N 3Å; L54-I57 PolarHBondContact O-N 3.04Å; L54-S58 VanDerWaalsContact O-CB 3.32Å; L54-S58 WeakPolarHBondContact O-CB 3.39Å; L54-S58 PolarHBondContact O-N 2.86Å; L54-S58 PolarHBondContact O-OG 3.31Å |
| 55 | G | 69.5 | Low | 70.5 | Confident | 41 Ų | 41 | 116.3 Ų | 116.3 | 42% | 0.423 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -62.4 | -42.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D51 Q52 F53 S58 S59 | D51-G55 PolarHBondContact O-N 3.12Å; Q52-G55 PolarHBondContact O-N 3.5Å; F53-G55 VanDerWaalsContact C-N 3.32Å; G55-S58 PolarHBondContact O-N 3.3Å; G55-S59 PolarHBondContact O-N 3.31Å |
| 56 | E | 63.6 | Low | 68.8 | Low | 141 Ų | 141 | 121.2 Ų | 121.2 | 66% | 0.659 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -62.6 | -47.4 | 173.3 | -102 | 173.7 | 165.8 | 0 | 0 | 111.7 | Q52 F53 S58 S59 | Q52-E56 PolarHBondContact O-N 3.39Å; F53-E56 PolarHBondContact O-N 3.48Å; E56-S58 PolarHBondContact O-N 3.1Å; E56-S59 PolarHBondContact O-N 2.9Å |
| 57 | I | 59.7 | Low | 67.1 | Low | 101 Ų | 101 | 123.3 Ų | 123.3 | 52% | 0.518 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -65 | -31.2 | -179.3 | -65.7 | 163 | 0 | 0 | 0 | 112.2 | F53 L54 | F53-I57 HydrophobicContact CD1-CD1 3.55Å; F53-I57 HydrophobicContact CD2-CD1 4.47Å; F53-I57 HydrophobicContact CE1-CD1 3.19Å; F53-I57 HydrophobicContact CE1-CG1 4.43Å; F53-I57 HydrophobicContact CE2-CD1 4.18Å; F53-I57 HydrophobicContact CG-CD1 4.2Å; F53-I57 HydrophobicContact CZ-CD1 3.54Å; F53-I57 HydrophobicContact CZ-CG1 4.47Å; F53-I57 WeakPolarHBondContact O-CG1 3.35Å; F53-I57 PolarHBondContact O-N 3.13Å; L54-I57 PolarHBondContact O-N 3.04Å |
| 58 | S | 60.8 | Low | 65.5 | Low | 98 Ų | 98 | 128.4 Ų | 128.4 | 69% | 0.685 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -83.8 | -13.5 | -176.2 | -51.4 | 0 | 0 | 0 | 0 | 113.5 | L54 G55 E56 | L54-S58 VanDerWaalsContact O-CB 3.32Å; L54-S58 WeakPolarHBondContact O-CB 3.39Å; L54-S58 PolarHBondContact O-N 2.86Å; L54-S58 PolarHBondContact O-OG 3.31Å; G55-S58 PolarHBondContact O-N 3.3Å; E56-S58 PolarHBondContact O-N 3.1Å |
| 59 | S | 61.8 | Low | 64.2 | Low | 83 Ų | 83 | 126.5 Ų | 126.5 | 58% | 0.58 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -91.2 | -16.6 | -169.9 | -165.6 | 0 | 0 | 0 | 0 | 114.8 | G55 E56 | G55-S59 PolarHBondContact O-N 3.31Å; E56-S59 PolarHBondContact O-N 2.9Å |
| 60 | D | 60.2 | Low | 62.9 | Low | 140 Ų | 140 | 123.7 Ų | 123.7 | 75% | 0.749 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -114.1 | 32 | -164.4 | -73.5 | -18.7 | 0 | 0 | 0 | 114.6 | ||
| 61 | N | 57.1 | Low | 62 | Low | 162 Ų | 162 | 122.7 Ų | 122.7 | 87% | 0.866 | 68% | 0.68 | S | S | * | * | trans | -128.8 | 42.9 | 175.7 | -125.2 | -7 | 0 | 0 | 0 | 113.7 | ||||
| 62 | E | 56.3 | Low | 61.4 | Low | 178 Ų | 178 | 126.9 Ų | 126.9 | 83% | 0.832 | 70% | 0.697 | S | S | * | * | trans | -90.3 | 105.4 | 166.8 | -79.5 | -81.1 | 141.9 | 0 | 0 | 109.7 | ||||
| 63 | S | 47.1 | Very low | 61.2 | Low | 115 Ų | 115 | 128 Ų | 128 | 80% | 0.804 | 70% | 0.7 | S | S | * | * | trans | 46.9 | 93.2 | 145.8 | -149.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 64 | D | 52.4 | Low | 60.8 | Low | 151 Ų | 151 | 128.7 Ų | 128.7 | 81% | 0.807 | 71% | 0.71 | S | S | * | * | trans | -141.9 | 111 | 140.5 | -156.7 | 8.2 | 0 | 0 | 0 | 110.8 | ||||
| 65 | S | 47.4 | Very low | 61 | Low | 98 Ų | 98 | 132.9 Ų | 132.9 | 69% | 0.685 | 73% | 0.733 | S | S | * | * | trans | 45 | 97.3 | 147.4 | -51.6 | 0 | 0 | 0 | 0 | 118.4 | E67 | S65-E67 PolarHBondContact O-N 3.17Š| ||
| 66 | E | 52.4 | Low | 61.6 | Low | 191 Ų | 191 | 137.5 Ų | 137.5 | 89% | 0.893 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | 106.6 | 149.1 | -56.6 | -169.8 | -169.7 | 0 | 0 | 108.7 | ||
| 67 | E | 54.9 | Low | 62.3 | Low | 193 Ų | 193 | 135.9 Ų | 135.9 | 90% | 0.902 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 177.9 | -5.4 | 145.4 | -103 | 172.1 | -171.5 | 0 | 0 | 117 | S65 | S65-E67 PolarHBondContact O-N 3.17Š|
| 68 | E | 54.6 | Low | 63.1 | Low | 182 Ų | 182 | 137 Ų | 137 | 85% | 0.85 | 74% | 0.743 | S | S | * | * | trans | -107.9 | 92.3 | 165.8 | -71.1 | -147.9 | -175.1 | 0 | 0 | 110.5 | N70 | E68-N70 VanDerWaalsContact C-N 3.32Å; E68-N70 PolarHBondContact O-N 2.78Å | ||
| 69 | A | 58.5 | Low | 63.8 | Low | 102 Ų | 102 | 139.7 Ų | 139.7 | 84% | 0.843 | 75% | 0.75 | S | S | * | * | trans | -53.3 | 102.4 | 162.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | S71 | A69-S71 PolarHBondContact O-N 3.01Š| ||
| 70 | N | 60.5 | Low | 64.3 | Low | 113 Ų | 113 | 139 Ų | 139 | 60% | 0.604 | 75% | 0.745 | S | S | * | * | trans | -59.5 | 98.4 | -178.3 | -118.8 | -7.9 | 0 | 0 | 0 | 108 | E68 E72 F73 | E68-N70 VanDerWaalsContact C-N 3.32Å; E68-N70 PolarHBondContact O-N 2.78Å; N70-E72 PolarHBondContact O-N 2.8Å; N70-F73 PolarHBondContact O-N 2.59Å | ||
| 71 | S | 67.3 | Low | 64.7 | Low | 103 Ų | 103 | 140.9 Ų | 140.9 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -12.5 | 174.2 | 95.3 | 0 | 0 | 0 | 0 | 111.8 | A69 F73 | A69-S71 PolarHBondContact O-N 3.01Å; S71-F73 PolarHBondContact O-N 2.75Å |
| 72 | E | 70.6 | Confident | 65.1 | Low | 170 Ų | 170 | 140.9 Ų | 140.9 | 79% | 0.794 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | -27.8 | 168.4 | -168.8 | 99.9 | -161.5 | 0 | 0 | 112.3 | N70 | N70-E72 PolarHBondContact O-N 2.8Š|
| 73 | F | 77 | Confident | 65.4 | Low | 130 Ų | 130 | 135.6 Ų | 135.6 | 57% | 0.57 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -104 | -2.5 | -176.8 | -136.8 | -97.8 | 0 | 0 | 0 | 113.8 | N70 S71 D75 F76 | N70-F73 PolarHBondContact O-N 2.59Å; S71-F73 PolarHBondContact O-N 2.75Å; F73-D75 PolarHBondContact O-N 3.45Å; F73-F76 HydrophobicContact CD1-CB 3.6Å; F73-F76 HydrophobicContact CD1-CD1 4.09Å; F73-F76 AromaticContact CD1-CG 3.96Å; F73-F76 HydrophobicContact CD1-CG 3.96Å; F73-F76 HydrophobicContact CE1-CB 3.58Å; F73-F76 AromaticContact CE1-CD1 3.28Å; F73-F76 HydrophobicContact CE1-CD1 3.28Å; F73-F76 HydrophobicContact CE1-CD2 4.1Å; F73-F76 AromaticContact CE1-CE1 3.96Å; F73-F76 HydrophobicContact CE1-CE1 3.96Å; F73-F76 AromaticContact CE1-CG 3.37Å; F73-F76 HydrophobicContact CE1-CG 3.37Å; F73-F76 HydrophobicContact CE2-CD2 4.44Å; F73-F76 HydrophobicContact CE2-CG 4.4Å; F73-F76 HydrophobicContact CG-CB 4.13Å; F73-F76 HydrophobicContact CZ-CB 4.08Å; F73-F76 AromaticContact CZ-CD1 3.79Å; F73-F76 HydrophobicContact CZ-CD1 3.79Å; F73-F76 AromaticContact CZ-CD2 3.86Å; F73-F76 HydrophobicContact CZ-CD2 3.86Å; F73-F76 HydrophobicContact CZ-CE1 4.17Å; F73-F76 HydrophobicContact CZ-CE2 4.23Å; F73-F76 AromaticContact CZ-CG 3.62Å; F73-F76 HydrophobicContact CZ-CG 3.62Å; F73-F76 HydrophobicContact CZ-CZ 4.38Å; F73-F76 VanDerWaalsContact O-CB 3.3Å; F73-F76 WeakPolarHBondContact O-CB 3.46Å; F73-F76 PolarHBondContact O-N 3.17Å; F73-F76 VanDerWaalsContact O-N 3.11Å |
| 74 | D | 70.5 | Confident | 66.5 | Low | 142 Ų | 142 | 135.9 Ų | 135.9 | 76% | 0.759 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | -19.5 | 180 | -126.8 | 18.8 | 0 | 0 | 0 | 112.3 | ||
| 75 | D | 79.8 | Confident | 67.5 | Low | 157 Ų | 157 | 135.1 Ų | 135.1 | 84% | 0.84 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | 1.9 | 174.6 | -161.3 | 40.2 | 0 | 0 | 0 | 112.9 | F73 | F73-D75 PolarHBondContact O-N 3.45Š|
| 76 | F | 81.8 | Confident | 69 | Low | 138 Ų | 138 | 136.4 Ų | 136.4 | 61% | 0.605 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -77.1 | -38.3 | -178.3 | -176.4 | -103.9 | 0 | 0 | 0 | 112.8 | F73 | F73-F76 HydrophobicContact CD1-CB 3.6Å; F73-F76 HydrophobicContact CD1-CD1 4.09Å; F73-F76 AromaticContact CD1-CG 3.96Å; F73-F76 HydrophobicContact CD1-CG 3.96Å; F73-F76 HydrophobicContact CE1-CB 3.58Å; F73-F76 AromaticContact CE1-CD1 3.28Å; F73-F76 HydrophobicContact CE1-CD1 3.28Å; F73-F76 HydrophobicContact CE1-CD2 4.1Å; F73-F76 AromaticContact CE1-CE1 3.96Å; F73-F76 HydrophobicContact CE1-CE1 3.96Å; F73-F76 AromaticContact CE1-CG 3.37Å; F73-F76 HydrophobicContact CE1-CG 3.37Å; F73-F76 HydrophobicContact CE2-CD2 4.44Å; F73-F76 HydrophobicContact CE2-CG 4.4Å; F73-F76 HydrophobicContact CG-CB 4.13Å; F73-F76 HydrophobicContact CZ-CB 4.08Å; F73-F76 AromaticContact CZ-CD1 3.79Å; F73-F76 HydrophobicContact CZ-CD1 3.79Å; F73-F76 AromaticContact CZ-CD2 3.86Å; F73-F76 HydrophobicContact CZ-CD2 3.86Å; F73-F76 HydrophobicContact CZ-CE1 4.17Å; F73-F76 HydrophobicContact CZ-CE2 4.23Å; F73-F76 AromaticContact CZ-CG 3.62Å; F73-F76 HydrophobicContact CZ-CG 3.62Å; F73-F76 HydrophobicContact CZ-CZ 4.38Å; F73-F76 VanDerWaalsContact O-CB 3.3Å; F73-F76 WeakPolarHBondContact O-CB 3.46Å; F73-F76 PolarHBondContact O-N 3.17Å; F73-F76 VanDerWaalsContact O-N 3.11Å |
| 77 | I | 77.9 | Confident | 70.4 | Confident | 107 Ų | 107 | 128.3 Ų | 128.3 | 55% | 0.549 | 66% | 0.663 | S | S | . | * | S | Bend | trans | -105.3 | 108.4 | 177.1 | -55.2 | -59.6 | 0 | 0 | 0 | 108.5 | D79 | I77-D79 PolarHBondContact O-N 2.89Å; I77-D79 VanDerWaalsContact O-N 3.17Å |
| 78 | D | 75.5 | Confident | 71.8 | Confident | 123 Ų | 123 | 121.5 Ų | 121.5 | 66% | 0.658 | 64% | 0.637 | S | S | * | * | trans | -74.7 | 100.4 | 168 | -176 | 12.5 | 0 | 0 | 0 | 109 | S80 | D78-S80 PolarHBondContact O-N 3.35Å; D78-S80 VanDerWaalsContact O-N 3.13Å; D78-S80 WeakPolarHBondContact OD1-CB 3.39Å; D78-S80 PolarHBondContact OD1-N 3.28Å; D78-S80 PolarHBondContact OD1-OG 2.87Å; D78-S80 VanDerWaalsContact OD1-OG 3.09Å; D78-S80 PolarHBondContact OD2-OG 3.4Å | ||
| 79 | D | 75.9 | Confident | 73.4 | Confident | 156 Ų | 156 | 116.5 Ų | 116.5 | 83% | 0.834 | 62% | 0.616 | S | S | * | * | trans | -67.8 | 3.3 | 172 | -82.8 | -13.3 | 0 | 0 | 0 | 112.6 | I77 | I77-D79 PolarHBondContact O-N 2.89Å; I77-D79 VanDerWaalsContact O-N 3.17Å | ||
| 80 | S | 72.8 | Confident | 75 | Confident | 68 Ų | 68 | 115.9 Ų | 115.9 | 48% | 0.476 | 60% | 0.595 | S | S | . | * | S | Bend | trans | -59.5 | 145.9 | 169.4 | 84.1 | 0 | 0 | 0 | 0 | 110.8 | D78 Y82 | D78-S80 PolarHBondContact O-N 3.35Å; D78-S80 VanDerWaalsContact O-N 3.13Å; D78-S80 WeakPolarHBondContact OD1-CB 3.39Å; D78-S80 PolarHBondContact OD1-N 3.28Å; D78-S80 PolarHBondContact OD1-OG 2.87Å; D78-S80 VanDerWaalsContact OD1-OG 3.09Å; D78-S80 PolarHBondContact OD2-OG 3.4Å; S80-Y82 PolarHBondContact O-N 2.94Å |
| 81 | E | 69.2 | Low | 76.3 | Confident | 180 Ų | 180 | 115.3 Ų | 115.3 | 84% | 0.841 | 59% | 0.591 | S | S | * | * | trans | -60.7 | 104.1 | 178.5 | -173.9 | 173 | -165 | 0 | 0 | 108.6 | V83 | E81-V83 WeakPolarHBondContact O-CG2 3.48Å; E81-V83 PolarHBondContact O-N 3.48Å | ||
| 82 | Y | 63.8 | Low | 77.5 | Confident | 162 Ų | 162 | 114.2 Ų | 114.2 | 64% | 0.635 | 57% | 0.572 | S | S | * | * | trans | -52.1 | 108.2 | 174.2 | -178.9 | -99.3 | 0 | 0 | 0 | 108.9 | S80 D84 A87 | S80-Y82 PolarHBondContact O-N 2.94Å; Y82-D84 PolarHBondContact O-N 3.2Å; Y82-A87 HydrophobicContact CE1-CB 4.07Å; Y82-A87 WeakPolarHBondContact OH-CB 3.41Å | ||
| 83 | V | 64.6 | Low | 78.5 | Confident | 66 Ų | 66 | 114.1 Ų | 114.1 | 40% | 0.4 | 56% | 0.564 | S | S | . | * | trans | -76.1 | 101.9 | 179.2 | -171 | 0 | 0 | 0 | 0 | 106.8 | E81 E85 E86 | E81-V83 WeakPolarHBondContact O-CG2 3.48Å; E81-V83 PolarHBondContact O-N 3.48Å; V83-E85 HydrophobicContact CG1-CB 3.73Å; V83-E85 HydrophobicContact CG1-CG 3.8Å; V83-E85 PolarHBondContact O-N 2.97Å; V83-E86 HydrophobicContact CB-CG 4.47Å; V83-E86 WeakPolarHBondContact O-CB 3.37Å; V83-E86 PolarHBondContact O-N 3.13Å | ||
| 84 | D | 69.5 | Low | 79.3 | Confident | 122 Ų | 122 | 113.7 Ų | 113.7 | 65% | 0.652 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -50.2 | -21.7 | 176.5 | -168.1 | 23.7 | 0 | 0 | 0 | 112.7 | Y82 E86 A87 S88 | Y82-D84 PolarHBondContact O-N 3.2Å; D84-E86 VanDerWaalsContact C-N 3.3Å; D84-E86 PolarHBondContact O-N 2.99Å; D84-A87 PolarHBondContact O-N 3.12Å; D84-S88 PolarHBondContact O-N 3.38Å; D84-S88 VanDerWaalsContact O-N 3.1Å |
| 85 | E | 72.6 | Confident | 80.4 | Confident | 135 Ų | 135 | 114.4 Ų | 114.4 | 63% | 0.631 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -60.4 | -33.3 | 171.7 | -53.5 | -169.9 | 172.3 | 0 | 0 | 113.6 | V83 S88 N89 | V83-E85 HydrophobicContact CG1-CB 3.73Å; V83-E85 HydrophobicContact CG1-CG 3.8Å; V83-E85 PolarHBondContact O-N 2.97Å; E85-S88 PolarHBondContact O-N 3.47Å; E85-N89 WeakPolarHBondContact O-CB 3.37Å; E85-N89 PolarHBondContact O-N 3.38Å; E85-N89 PolarHBondContact O-ND2 2.78Å |
| 86 | E | 78.6 | Confident | 81 | Confident | 124 Ų | 124 | 116 Ų | 116 | 58% | 0.579 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -69.3 | -42.1 | 178.7 | -70.6 | 172.9 | -178.4 | 0 | 0 | 111.5 | V83 D84 S88 N89 E90 | V83-E86 HydrophobicContact CB-CG 4.47Å; V83-E86 WeakPolarHBondContact O-CB 3.37Å; V83-E86 PolarHBondContact O-N 3.13Å; D84-E86 VanDerWaalsContact C-N 3.3Å; D84-E86 PolarHBondContact O-N 2.99Å; E86-S88 VanDerWaalsContact C-N 3.35Å; E86-S88 PolarHBondContact O-N 3.41Å; E86-N89 PolarHBondContact O-N 3.05Å; E86-E90 WeakPolarHBondContact O-CB 3.35Å; E86-E90 PolarHBondContact O-N 2.83Å |
| 87 | A | 82.2 | Confident | 81.5 | Confident | 22 Ų | 22 | 115.4 Ų | 115.4 | 18% | 0.182 | 56% | 0.558 | C | S | . | * | H | α-helix | trans | -58.1 | -49.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y82 D84 N89 E90 I91 | Y82-A87 HydrophobicContact CE1-CB 4.07Å; Y82-A87 WeakPolarHBondContact OH-CB 3.41Å; D84-A87 PolarHBondContact O-N 3.12Å; A87-N89 PolarHBondContact O-N 2.91Å; A87-E90 PolarHBondContact O-N 3.32Å; A87-I91 WeakPolarHBondContact O-CD1 3.3Å; A87-I91 VanDerWaalsContact O-CG1 3.23Å; A87-I91 WeakPolarHBondContact O-CG1 3.33Å; A87-I91 PolarHBondContact O-N 3.37Å |
| 88 | S | 84.6 | Confident | 82.1 | Confident | 50 Ų | 50 | 114 Ų | 114 | 35% | 0.35 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.1 | -39.7 | 178.4 | 177.8 | 0 | 0 | 0 | 0 | 112.5 | D84 E85 E86 R92 | D84-S88 PolarHBondContact O-N 3.38Å; D84-S88 VanDerWaalsContact O-N 3.1Å; E85-S88 PolarHBondContact O-N 3.47Å; E86-S88 VanDerWaalsContact C-N 3.35Å; E86-S88 PolarHBondContact O-N 3.41Å; S88-R92 WeakPolarHBondContact O-CB 3.44Å; S88-R92 VanDerWaalsContact O-CG 3.32Å; S88-R92 WeakPolarHBondContact O-CG 3.3Å; S88-R92 PolarHBondContact O-N 2.84Å; S88-R92 PolarHBondContact O-NE 3.35Å; S88-R92 PolarHBondContact OG-NE 2.96Å; S88-R92 PolarHBondContact OG-NH2 2.85Å |
| 89 | N | 88.7 | Confident | 82.6 | Confident | 76 Ų | 76 | 110.8 Ų | 110.8 | 41% | 0.406 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.1 | -43 | 176.6 | -76.4 | -33.2 | 0 | 0 | 0 | 110.9 | E85 E86 A87 R92 R93 | E85-N89 WeakPolarHBondContact O-CB 3.37Å; E85-N89 PolarHBondContact O-N 3.38Å; E85-N89 PolarHBondContact O-ND2 2.78Å; E86-N89 PolarHBondContact O-N 3.05Å; A87-N89 PolarHBondContact O-N 2.91Å; N89-R92 PolarHBondContact O-N 3.3Å; N89-R92 PolarHBondContact OD1-NH1 3.47Å; N89-R92 PolarHBondContact OD1-NH2 2.88Å; N89-R93 WeakPolarHBondContact O-CB 3.43Å; N89-R93 PolarHBondContact O-N 3.42Å |
| 90 | E | 90.8 | Very high | 83.3 | Confident | 89 Ų | 89 | 110.2 Ų | 110.2 | 42% | 0.416 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.4 | -43.2 | 178.5 | -178.8 | 55.7 | -154 | 0 | 0 | 111.6 | E86 A87 R92 R93 L94 | E86-E90 WeakPolarHBondContact O-CB 3.35Å; E86-E90 PolarHBondContact O-N 2.83Å; A87-E90 PolarHBondContact O-N 3.32Å; E90-R92 VanDerWaalsContact C-N 3.34Å; E90-R92 PolarHBondContact O-N 3.28Å; E90-R93 WeakPolarHBondContact O-CB 3.36Å; E90-R93 PolarHBondContact O-N 3.25Å; E90-R93 IonicContact OE1-CZ 3.15Å; E90-R93 VanDerWaalsContact OE1-CZ 3.29Å; E90-R93 IonicContact OE1-NE 2.75Å; E90-R93 IonicContact OE1-NH2 2.8Å; E90-R93 PolarHBondContact OE1-NH2 3.17Å; E90-R93 IonicContact OE2-CZ 2.88Å; E90-R93 IonicContact OE2-NE 2.59Å; E90-R93 PolarHBondContact OE2-NE 3.31Å; E90-R93 IonicContact OE2-NH2 3.29Å; E90-R93 PolarHBondContact OE2-NH2 2.67Å; E90-L94 PolarHBondContact O-N 3Å |
| 91 | I | 89.5 | Confident | 84.2 | Confident | 102 Ų | 102 | 113.9 Ų | 113.9 | 52% | 0.523 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.4 | -45.4 | 173.8 | -67.4 | 164.3 | 0 | 0 | 0 | 110.4 | A87 R93 L94 F95 | A87-I91 WeakPolarHBondContact O-CD1 3.3Å; A87-I91 VanDerWaalsContact O-CG1 3.23Å; A87-I91 WeakPolarHBondContact O-CG1 3.33Å; A87-I91 PolarHBondContact O-N 3.37Å; I91-R93 VanDerWaalsContact C-N 3.3Å; I91-R93 PolarHBondContact O-N 3.11Å; I91-L94 PolarHBondContact O-N 2.94Å; I91-F95 HydrophobicContact CG2-CD2 4.13Å; I91-F95 HydrophobicContact CG2-CE2 4.31Å; I91-F95 WeakPolarHBondContact O-CD2 3.36Å; I91-F95 PolarHBondContact O-N 3.09Å |
| 92 | R | 92.7 | Very high | 85.1 | Confident | 80 Ų | 80 | 109.5 Ų | 109.5 | 30% | 0.302 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.1 | -40.2 | 175.3 | -82 | -176.4 | -83.5 | 146.3 | -7.4 | 112.3 | S88 N89 E90 K96 Y97 | S88-R92 WeakPolarHBondContact O-CB 3.44Å; S88-R92 VanDerWaalsContact O-CG 3.32Å; S88-R92 WeakPolarHBondContact O-CG 3.3Å; S88-R92 PolarHBondContact O-N 2.84Å; S88-R92 PolarHBondContact O-NE 3.35Å; S88-R92 PolarHBondContact OG-NE 2.96Å; S88-R92 PolarHBondContact OG-NH2 2.85Å; N89-R92 PolarHBondContact O-N 3.3Å; N89-R92 PolarHBondContact OD1-NH1 3.47Å; N89-R92 PolarHBondContact OD1-NH2 2.88Å; E90-R92 VanDerWaalsContact C-N 3.34Å; E90-R92 PolarHBondContact O-N 3.28Å; R92-K96 WeakPolarHBondContact O-CA 3.3Å; R92-K96 PolarHBondContact O-N 3.3Å; R92-Y97 HydrophobicContact CG-CD1 4.04Å; R92-Y97 PolarHBondContact O-N 2.98Å |
| 93 | R | 90.8 | Very high | 86.3 | Confident | 167 Ų | 167 | 109.5 Ų | 109.5 | 63% | 0.63 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.6 | -43.8 | 177.1 | -171.1 | 178.2 | 69.7 | 82.4 | -9.7 | 111.6 | N89 E90 I91 F95 K96 | N89-R93 WeakPolarHBondContact O-CB 3.43Å; N89-R93 PolarHBondContact O-N 3.42Å; E90-R93 WeakPolarHBondContact O-CB 3.36Å; E90-R93 PolarHBondContact O-N 3.25Å; E90-R93 IonicContact OE1-CZ 3.15Å; E90-R93 VanDerWaalsContact OE1-CZ 3.29Å; E90-R93 IonicContact OE1-NE 2.75Å; E90-R93 IonicContact OE1-NH2 2.8Å; E90-R93 PolarHBondContact OE1-NH2 3.17Å; E90-R93 IonicContact OE2-CZ 2.88Å; E90-R93 IonicContact OE2-NE 2.59Å; E90-R93 PolarHBondContact OE2-NE 3.31Å; E90-R93 IonicContact OE2-NH2 3.29Å; E90-R93 PolarHBondContact OE2-NH2 2.67Å; I91-R93 VanDerWaalsContact C-N 3.3Å; I91-R93 PolarHBondContact O-N 3.11Å; R93-F95 PolarHBondContact O-N 3.39Å; R93-K96 PolarHBondContact O-N 2.87Å |
| 94 | L | 93.5 | Very high | 87.5 | Confident | 122 Ų | 122 | 115.6 Ų | 115.6 | 64% | 0.639 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -59.9 | -45.9 | 179.8 | -176.3 | 62.9 | 0 | 0 | 0 | 112.2 | E90 I91 | E90-L94 PolarHBondContact O-N 3Å; I91-L94 PolarHBondContact O-N 2.94Å |
| 95 | F | 93.9 | Very high | 88.3 | Confident | 156 Ų | 156 | 114.8 Ų | 114.8 | 68% | 0.684 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -91 | -1.6 | -178.9 | -67.2 | -75.1 | 0 | 0 | 0 | 114.5 | I91 R93 Y97 | I91-F95 HydrophobicContact CG2-CD2 4.13Å; I91-F95 HydrophobicContact CG2-CE2 4.31Å; I91-F95 WeakPolarHBondContact O-CD2 3.36Å; I91-F95 PolarHBondContact O-N 3.09Å; R93-F95 PolarHBondContact O-N 3.39Å; F95-Y97 VanDerWaalsContact C-N 3.25Å; F95-Y97 PolarHBondContact O-N 3.49Å |
| 96 | K | 92.9 | Very high | 89.1 | Confident | 192 Ų | 192 | 113.3 Ų | 113.3 | 84% | 0.835 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 38.4 | -174.7 | -53.9 | 175.8 | -179.3 | 177.1 | 0 | 112.6 | R92 R93 | R92-K96 WeakPolarHBondContact O-CA 3.3Å; R92-K96 PolarHBondContact O-N 3.3Å; R93-K96 PolarHBondContact O-N 2.87Å |
| 97 | Y | 91.2 | Very high | 89.3 | Confident | 125 Ų | 125 | 114 Ų | 114 | 49% | 0.49 | 53% | 0.525 | S | S | . | . | trans | -89.9 | 123.4 | 178 | 179 | -114.4 | 0 | 0 | 0 | 111.1 | R92 F95 P99 Y102 | R92-Y97 HydrophobicContact CG-CD1 4.04Å; R92-Y97 PolarHBondContact O-N 2.98Å; F95-Y97 VanDerWaalsContact C-N 3.25Å; F95-Y97 PolarHBondContact O-N 3.49Å; Y97-P99 HydrophobicContact CE1-CB 4.17Å; Y97-Y102 HydrophobicContact CD2-CE2 4.37Å; Y97-Y102 HydrophobicContact CE2-CD2 4.11Å; Y97-Y102 AromaticContact CE2-CE2 3.99Å; Y97-Y102 HydrophobicContact CE2-CE2 3.99Å | ||
| 98 | D | 91.4 | Very high | 89.5 | Confident | 78 Ų | 78 | 120.5 Ų | 120.5 | 42% | 0.417 | 55% | 0.553 | S | S | . | * | trans | -120 | 110.2 | 172.9 | 178.8 | 11.1 | 0 | 0 | 0 | 110.4 | K100 K101 Y102 | D98-K100 PolarHBondContact O-N 2.82Å; D98-K100 VanDerWaalsContact OD1-CB 3.29Å; D98-K100 WeakPolarHBondContact OD1-CB 3.03Å; D98-K100 PolarHBondContact OD1-N 2.98Å; D98-K101 HydrophobicContact CB-CB 4.49Å; D98-K101 WeakPolarHBondContact O-CB 3.47Å; D98-K101 PolarHBondContact O-N 2.76Å; D98-Y102 WeakPolarHBondContact O-CD2 3.18Å | ||
| 99 | P | 86.6 | Confident | 89.7 | Confident | 55 Ų | 55 | 120.9 Ų | 120.9 | 36% | 0.357 | 55% | 0.551 | S | S | . | * | G | 310 helix | trans | -65.3 | -23.8 | 178.3 | 27.1 | -34.3 | 0 | 0 | 0 | 112.5 | Y97 K101 Y102 | Y97-P99 HydrophobicContact CE1-CB 4.17Å; P99-K101 PolarHBondContact O-N 2.94Å; P99-Y102 PolarHBondContact O-N 3.37Å |
| 100 | K | 90.1 | Very high | 89.8 | Confident | 144 Ų | 144 | 122.1 Ų | 122.1 | 63% | 0.626 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -68.2 | -25.1 | -178.7 | -64.1 | -179.9 | -179 | 175.5 | 0 | 112.7 | D98 Y102 R103 | D98-K100 PolarHBondContact O-N 2.82Å; D98-K100 VanDerWaalsContact OD1-CB 3.29Å; D98-K100 WeakPolarHBondContact OD1-CB 3.03Å; D98-K100 PolarHBondContact OD1-N 2.98Å; K100-Y102 VanDerWaalsContact C-N 3.26Å; K100-Y102 PolarHBondContact O-N 3.44Å; K100-R103 WeakPolarHBondContact O-CG 3.35Å; K100-R103 PolarHBondContact O-NE 3.31Å |
| 101 | K | 90.7 | Very high | 89.7 | Confident | 144 Ų | 144 | 126.8 Ų | 126.8 | 63% | 0.626 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -64.4 | -29.2 | 177.3 | -175.6 | 179.5 | 172.8 | -168.9 | 0 | 112.8 | D98 P99 | D98-K101 HydrophobicContact CB-CB 4.49Å; D98-K101 WeakPolarHBondContact O-CB 3.47Å; D98-K101 PolarHBondContact O-N 2.76Å; P99-K101 PolarHBondContact O-N 2.94Å |
| 102 | Y | 88.2 | Confident | 89.7 | Confident | 88 Ų | 88 | 129.3 Ų | 129.3 | 35% | 0.345 | 59% | 0.586 | S | S | . | * | G | 310 helix | trans | -107.6 | 8.9 | -171.8 | -54.5 | -74.9 | 0 | 0 | 0 | 113.5 | Y97 D98 P99 K100 Y104 I105 | Y97-Y102 HydrophobicContact CD2-CE2 4.37Å; Y97-Y102 HydrophobicContact CE2-CD2 4.11Å; Y97-Y102 AromaticContact CE2-CE2 3.99Å; Y97-Y102 HydrophobicContact CE2-CE2 3.99Å; D98-Y102 WeakPolarHBondContact O-CD2 3.18Å; P99-Y102 PolarHBondContact O-N 3.37Å; K100-Y102 VanDerWaalsContact C-N 3.26Å; K100-Y102 PolarHBondContact O-N 3.44Å; Y102-Y104 PolarHBondContact O-N 3.46Å; Y102-I105 HydrophobicContact CD1-CD1 3.84Å; Y102-I105 PolarHBondContact O-N 2.66Å |
| 103 | R | 88.7 | Confident | 89.8 | Confident | 162 Ų | 162 | 132.7 Ų | 132.7 | 61% | 0.611 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.5 | -26.5 | -175.5 | -73.3 | -178.3 | -60.4 | 158.1 | 5.8 | 115.2 | K100 | K100-R103 WeakPolarHBondContact O-CG 3.35Å; K100-R103 PolarHBondContact O-NE 3.31Å |
| 104 | Y | 89.5 | Confident | 89.8 | Confident | 195 Ų | 195 | 133.2 Ų | 133.2 | 77% | 0.765 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.2 | 1.4 | -175.9 | -53.2 | -69.5 | 0 | 0 | 0 | 113.2 | Y102 | Y102-Y104 PolarHBondContact O-N 3.46Š|
| 105 | I | 87.6 | Confident | 89.9 | Confident | 105 Ų | 105 | 130.5 Ų | 130.5 | 54% | 0.538 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -94.4 | 132.9 | 178.6 | -53.2 | -168.9 | 0 | 0 | 0 | 107.6 | Y102 L107 | Y102-I105 HydrophobicContact CD1-CD1 3.84Å; Y102-I105 PolarHBondContact O-N 2.66Å; I105-L107 PolarHBondContact O-N 3.29Å; I105-L107 VanDerWaalsContact O-N 3.17Å |
| 106 | D | 88.2 | Confident | 90 | Very high | 103 Ų | 103 | 126.5 Ų | 126.5 | 55% | 0.551 | 60% | 0.604 | S | S | * | * | trans | -69.6 | 109.6 | 168.5 | -171.8 | -9.5 | 0 | 0 | 0 | 108.6 | M108 D109 | D106-M108 PolarHBondContact O-N 3.18Å; D106-M108 VanDerWaalsContact O-N 3.15Å; D106-M108 PolarHBondContact OD1-N 3.25Å; D106-D109 HydrophobicContact CB-CB 3.88Å; D106-D109 PolarHBondContact O-N 3.42Å; D106-D109 VanDerWaalsContact O-N 3.11Å | ||
| 107 | L | 83.5 | Confident | 90.2 | Very high | 139 Ų | 139 | 125.4 Ų | 125.4 | 73% | 0.728 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | -16.6 | -178.6 | -67.7 | 168.2 | 0 | 0 | 0 | 112.7 | I105 | I105-L107 PolarHBondContact O-N 3.29Å; I105-L107 VanDerWaalsContact O-N 3.17Å |
| 108 | M | 86.3 | Confident | 90.5 | Very high | 158 Ų | 158 | 120.8 Ų | 120.8 | 78% | 0.778 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | -1.3 | 179.4 | -56 | -62.4 | 169.3 | 0 | 0 | 112.6 | D106 D110 | D106-M108 PolarHBondContact O-N 3.18Å; D106-M108 VanDerWaalsContact O-N 3.15Å; D106-M108 PolarHBondContact OD1-N 3.25Å; M108-D110 PolarHBondContact O-N 3.34Å |
| 109 | D | 89.2 | Confident | 90.8 | Very high | 58 Ų | 58 | 120.2 Ų | 120.2 | 31% | 0.31 | 58% | 0.583 | S | S | . | * | trans | -91 | 91.5 | 179 | -167.6 | 6.2 | 0 | 0 | 0 | 111.2 | D106 R111 | D106-D109 HydrophobicContact CB-CB 3.88Å; D106-D109 PolarHBondContact O-N 3.42Å; D106-D109 VanDerWaalsContact O-N 3.11Å; D109-R111 VanDerWaalsContact CG-NH2 3.27Å; D109-R111 IonicContact OD1-CZ 2.88Å; D109-R111 IonicContact OD1-NE 3.16Å; D109-R111 PolarHBondContact OD1-NE 3.3Å; D109-R111 IonicContact OD1-NH2 3.35Å; D109-R111 PolarHBondContact OD1-NH2 3.33Å; D109-R111 VanDerWaalsContact OD1-NH2 3.16Å; D109-R111 IonicContact OD2-CZ 2.61Å; D109-R111 IonicContact OD2-NE 2.75Å; D109-R111 IonicContact OD2-NH2 3.71Å; D109-R111 PolarHBondContact OD2-NH2 2.88Å | ||
| 110 | D | 90.4 | Very high | 91.3 | Very high | 103 Ų | 103 | 120.9 Ų | 120.9 | 55% | 0.551 | 58% | 0.583 | S | S | * | * | trans | -106.7 | 6.1 | 179.3 | 62.3 | -4 | 0 | 0 | 0 | 113.8 | M108 D112 M113 | M108-D110 PolarHBondContact O-N 3.34Å; D110-D112 PolarHBondContact O-N 2.96Å; D110-D112 VanDerWaalsContact O-N 3.12Å; D110-M113 HydrophobicContact CB-CE 4.15Å; D110-M113 HydrophobicContact CB-CG 4.23Å; D110-M113 HydrophobicContact CB-SD 3.83Å; D110-M113 WeakPolarHBondContact O-CB 3.47Å; D110-M113 PolarHBondContact O-N 3.27Å | ||
| 111 | R | 89.8 | Confident | 91.7 | Very high | 186 Ų | 186 | 116 Ų | 116 | 70% | 0.702 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | -32.5 | -171.2 | -66.2 | 175.3 | -68 | 178.4 | -0.8 | 114.4 | D109 | D109-R111 VanDerWaalsContact CG-NH2 3.27Å; D109-R111 IonicContact OD1-CZ 2.88Å; D109-R111 IonicContact OD1-NE 3.16Å; D109-R111 PolarHBondContact OD1-NE 3.3Å; D109-R111 IonicContact OD1-NH2 3.35Å; D109-R111 PolarHBondContact OD1-NH2 3.33Å; D109-R111 VanDerWaalsContact OD1-NH2 3.16Å; D109-R111 IonicContact OD2-CZ 2.61Å; D109-R111 IonicContact OD2-NE 2.75Å; D109-R111 IonicContact OD2-NH2 3.71Å; D109-R111 PolarHBondContact OD2-NH2 2.88Å |
| 112 | D | 89.4 | Confident | 92 | Very high | 155 Ų | 155 | 116.7 Ų | 116.7 | 83% | 0.829 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | 7.2 | -178.2 | -64.2 | -30.2 | 0 | 0 | 0 | 112.9 | D110 | D110-D112 PolarHBondContact O-N 2.96Å; D110-D112 VanDerWaalsContact O-N 3.12Å |
| 113 | M | 93.1 | Very high | 92.5 | Very high | 151 Ų | 151 | 119.4 Ų | 119.4 | 74% | 0.744 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -79.6 | -19.4 | 178.8 | -63.9 | -169.8 | -173.2 | 0 | 0 | 112.9 | D110 | D110-M113 HydrophobicContact CB-CE 4.15Å; D110-M113 HydrophobicContact CB-CG 4.23Å; D110-M113 HydrophobicContact CB-SD 3.83Å; D110-M113 WeakPolarHBondContact O-CB 3.47Å; D110-M113 PolarHBondContact O-N 3.27Å |
| 114 | E | 92.5 | Very high | 92.9 | Very high | 178 Ų | 178 | 117.1 Ų | 117.1 | 83% | 0.832 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -93.4 | 139.6 | -178.6 | -62.4 | -172.4 | 174.6 | 0 | 0 | 112.1 | ||
| 115 | A | 94.4 | Very high | 93.3 | Very high | 66 Ų | 66 | 110.8 Ų | 110.8 | 55% | 0.545 | 57% | 0.566 | S | S | . | * | P | Polyproline II helix | trans | -97 | 141 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | I120 | A115-I120 HydrophobicContact CB-CD1 4.45Å; A115-I120 HydrophobicContact CB-CG1 4.06Å |
| 116 | S | 95.7 | Very high | 93.8 | Very high | 71 Ų | 71 | 111.7 Ų | 111.7 | 50% | 0.497 | 57% | 0.566 | S | S | . | * | P | Polyproline II helix | trans | -69.4 | 149.7 | 171.1 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | G118 D119 I120 | S116-G118 PolarHBondContact O-N 3.04Å; S116-G118 VanDerWaalsContact O-N 3.15Å; S116-G118 PolarHBondContact OG-N 3.06Å; S116-D119 WeakPolarHBondContact CB-OD2 3.32Å; S116-D119 PolarHBondContact N-OD2 3.27Å; S116-D119 WeakPolarHBondContact O-CA 3.23Å; S116-D119 WeakPolarHBondContact O-CB 3.37Å; S116-D119 PolarHBondContact O-N 3.42Å; S116-I120 PolarHBondContact O-N 3.33Å |
| 117 | Y | 97.3 | Very high | 94.2 | Very high | 169 Ų | 169 | 110.6 Ų | 110.6 | 66% | 0.663 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -50.4 | -40.2 | 172 | 175.8 | -101.8 | 0 | 0 | 0 | 112.6 | D119 I120 C121 | Y117-D119 PolarHBondContact O-N 3.39Å; Y117-I120 PolarHBondContact O-N 2.99Å; Y117-C121 VanDerWaalsContact CE1-SG 3.55Å; Y117-C121 PolarHBondContact O-N 2.61Å; Y117-C121 PolarHBondContact O-SG 2.88Å; Y117-C121 VanDerWaalsContact O-SG 3.4Å |
| 118 | G | 97.8 | Very high | 94.9 | Very high | 29 Ų | 29 | 108 Ų | 108 | 30% | 0.299 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.8 | -29.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | S116 R122 | S116-G118 PolarHBondContact O-N 3.04Å; S116-G118 VanDerWaalsContact O-N 3.15Å; S116-G118 PolarHBondContact OG-N 3.06Å; G118-R122 VanDerWaalsContact O-CG 3.31Å; G118-R122 WeakPolarHBondContact O-CG 3.36Å; G118-R122 PolarHBondContact O-N 2.85Å; G118-R122 PolarHBondContact O-NH1 3.18Å |
| 119 | D | 97.4 | Very high | 95.4 | Very high | 66 Ų | 66 | 107.8 Ų | 107.8 | 35% | 0.353 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -75.6 | -45 | 178.5 | -56.4 | -23.3 | 0 | 0 | 0 | 110 | S116 Y117 C121 R122 E123 | S116-D119 WeakPolarHBondContact CB-OD2 3.32Å; S116-D119 PolarHBondContact N-OD2 3.27Å; S116-D119 WeakPolarHBondContact O-CA 3.23Å; S116-D119 WeakPolarHBondContact O-CB 3.37Å; S116-D119 PolarHBondContact O-N 3.42Å; Y117-D119 PolarHBondContact O-N 3.39Å; D119-C121 PolarHBondContact O-N 3.12Å; D119-R122 PolarHBondContact O-N 3.44Å; D119-R122 VanDerWaalsContact O-N 3.12Å; D119-R122 IonicContact OD1-CZ 3.37Å; D119-R122 IonicContact OD1-NH1 2.72Å; D119-R122 PolarHBondContact OD1-NH1 3.26Å; D119-R122 IonicContact OD1-NH2 3.13Å; D119-R122 PolarHBondContact OD1-NH2 3.33Å; D119-E123 PolarHBondContact O-N 3.45Å |
| 120 | I | 97.8 | Very high | 95.8 | Very high | 69 Ų | 69 | 108.3 Ų | 108.3 | 35% | 0.354 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -55.3 | -51.4 | 174.4 | -62.1 | 167.9 | 0 | 0 | 0 | 110.3 | A115 S116 Y117 R122 E123 E124 | A115-I120 HydrophobicContact CB-CD1 4.45Å; A115-I120 HydrophobicContact CB-CG1 4.06Å; S116-I120 PolarHBondContact O-N 3.33Å; Y117-I120 PolarHBondContact O-N 2.99Å; I120-R122 VanDerWaalsContact C-N 3.28Å; I120-R122 PolarHBondContact O-N 3.47Å; I120-E123 PolarHBondContact O-N 2.97Å; I120-E123 VanDerWaalsContact O-N 3.12Å; I120-E124 HydrophobicContact CG2-CG 4.27Å; I120-E124 WeakPolarHBondContact O-CB 3.29Å; I120-E124 WeakPolarHBondContact O-CG 3.39Å; I120-E124 PolarHBondContact O-N 3.44Å |
| 121 | C | 97.9 | Very high | 96.2 | Very high | 42 Ų | 42 | 104.7 Ų | 104.7 | 28% | 0.284 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.9 | -35.2 | 179 | -69.3 | 0 | 0 | 0 | 0 | 113.4 | Y117 D119 A125 | Y117-C121 VanDerWaalsContact CE1-SG 3.55Å; Y117-C121 PolarHBondContact O-N 2.61Å; Y117-C121 PolarHBondContact O-SG 2.88Å; Y117-C121 VanDerWaalsContact O-SG 3.4Å; D119-C121 PolarHBondContact O-N 3.12Å; C121-A125 VanDerWaalsContact O-CB 3.3Å; C121-A125 WeakPolarHBondContact O-CB 3.4Å; C121-A125 PolarHBondContact O-N 2.9Å |
| 122 | R | 98.1 | Very high | 96.6 | Very high | 157 Ų | 157 | 101 Ų | 101 | 59% | 0.592 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -69.9 | -40.1 | 176.7 | -73.4 | -169.7 | -42.8 | -87.8 | 13.6 | 111 | G118 D119 I120 K126 | G118-R122 VanDerWaalsContact O-CG 3.31Å; G118-R122 WeakPolarHBondContact O-CG 3.36Å; G118-R122 PolarHBondContact O-N 2.85Å; G118-R122 PolarHBondContact O-NH1 3.18Å; D119-R122 PolarHBondContact O-N 3.44Å; D119-R122 VanDerWaalsContact O-N 3.12Å; D119-R122 IonicContact OD1-CZ 3.37Å; D119-R122 IonicContact OD1-NH1 2.72Å; D119-R122 PolarHBondContact OD1-NH1 3.26Å; D119-R122 IonicContact OD1-NH2 3.13Å; D119-R122 PolarHBondContact OD1-NH2 3.33Å; I120-R122 VanDerWaalsContact C-N 3.28Å; I120-R122 PolarHBondContact O-N 3.47Å; R122-K126 WeakPolarHBondContact O-CB 3.38Å; R122-K126 PolarHBondContact O-N 3.42Å |
| 123 | E | 97.6 | Very high | 97 | Very high | 145 Ų | 145 | 98.5 Ų | 98.5 | 68% | 0.678 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.4 | -47.1 | 176.1 | -171.9 | 174 | 146.6 | 0 | 0 | 111.6 | D119 I120 A125 K126 S127 | D119-E123 PolarHBondContact O-N 3.45Å; I120-E123 PolarHBondContact O-N 2.97Å; I120-E123 VanDerWaalsContact O-N 3.12Å; E123-A125 VanDerWaalsContact C-N 3.35Å; E123-A125 PolarHBondContact O-N 3.08Å; E123-K126 WeakPolarHBondContact O-CB 3.31Å; E123-K126 PolarHBondContact O-N 3.47Å; E123-K126 VanDerWaalsContact O-N 3.13Å; E123-S127 WeakPolarHBondContact O-CB 3.32Å; E123-S127 PolarHBondContact O-N 2.86Å |
| 124 | E | 96.8 | Very high | 97.2 | Very high | 115 Ų | 115 | 97 Ų | 97 | 54% | 0.537 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.7 | -44.3 | 175.7 | -74 | 180 | 173.3 | 0 | 0 | 111.9 | I120 K126 S127 S128 | I120-E124 HydrophobicContact CG2-CG 4.27Å; I120-E124 WeakPolarHBondContact O-CB 3.29Å; I120-E124 WeakPolarHBondContact O-CG 3.39Å; I120-E124 PolarHBondContact O-N 3.44Å; E124-K126 VanDerWaalsContact C-N 3.34Å; E124-K126 PolarHBondContact O-N 3.04Å; E124-S127 PolarHBondContact O-N 3.36Å; E124-S128 WeakPolarHBondContact O-CB 3.41Å; E124-S128 PolarHBondContact O-N 3.3Å; E124-S128 PolarHBondContact O-OG 2.67Å |
| 125 | A | 98.1 | Very high | 97.4 | Very high | 62 Ų | 62 | 93.9 Ų | 93.9 | 51% | 0.512 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.9 | -39.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | C121 E123 R129 | C121-A125 VanDerWaalsContact O-CB 3.3Å; C121-A125 WeakPolarHBondContact O-CB 3.4Å; C121-A125 PolarHBondContact O-N 2.9Å; E123-A125 VanDerWaalsContact C-N 3.35Å; E123-A125 PolarHBondContact O-N 3.08Å; A125-R129 WeakPolarHBondContact O-CB 3.49Å; A125-R129 PolarHBondContact O-N 2.94Å; A125-R129 VanDerWaalsContact O-N 3.17Å |
| 126 | K | 98.1 | Very high | 97.6 | Very high | 124 Ų | 124 | 94.9 Ų | 94.9 | 54% | 0.539 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.2 | -46.6 | 175.7 | -174.3 | -174.7 | 177.1 | -172.2 | 0 | 111 | R122 E123 E124 R129 I130 | R122-K126 WeakPolarHBondContact O-CB 3.38Å; R122-K126 PolarHBondContact O-N 3.42Å; E123-K126 WeakPolarHBondContact O-CB 3.31Å; E123-K126 PolarHBondContact O-N 3.47Å; E123-K126 VanDerWaalsContact O-N 3.13Å; E124-K126 VanDerWaalsContact C-N 3.34Å; E124-K126 PolarHBondContact O-N 3.04Å; K126-R129 PolarHBondContact O-N 3.46Å; K126-I130 HydrophobicContact CG-CD1 4.07Å; K126-I130 WeakPolarHBondContact O-CG1 3.43Å; K126-I130 PolarHBondContact O-N 3.34Å |
| 127 | S | 97.7 | Very high | 97.6 | Very high | 79 Ų | 79 | 97.5 Ų | 97.5 | 55% | 0.552 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.2 | -48 | 178.7 | -175.6 | 0 | 0 | 0 | 0 | 111 | E123 E124 R129 I130 G131 | E123-S127 WeakPolarHBondContact O-CB 3.32Å; E123-S127 PolarHBondContact O-N 2.86Å; E124-S127 PolarHBondContact O-N 3.36Å; S127-R129 VanDerWaalsContact C-N 3.3Å; S127-R129 PolarHBondContact O-N 2.93Å; S127-I130 PolarHBondContact O-N 3.48Å; S127-I130 VanDerWaalsContact O-N 3.13Å; S127-G131 PolarHBondContact O-N 3.03Å |
| 128 | S | 97.3 | Very high | 97.6 | Very high | 84 Ų | 84 | 95.8 Ų | 95.8 | 59% | 0.587 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -58.9 | -40.3 | 177.5 | -59.2 | 0 | 0 | 0 | 0 | 112.6 | E124 L132 | E124-S128 WeakPolarHBondContact O-CB 3.41Å; E124-S128 PolarHBondContact O-N 3.3Å; E124-S128 PolarHBondContact O-OG 2.67Å; S128-L132 PolarHBondContact O-N 2.92Å; S128-L132 VanDerWaalsContact O-N 3.1Å |
| 129 | R | 98.2 | Very high | 97.5 | Very high | 155 Ų | 155 | 100 Ų | 100 | 59% | 0.585 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67.1 | -42.6 | 176.9 | -179.5 | 175.2 | 61.8 | 160.5 | -0.3 | 112 | A125 K126 S127 L132 Q133 | A125-R129 WeakPolarHBondContact O-CB 3.49Å; A125-R129 PolarHBondContact O-N 2.94Å; A125-R129 VanDerWaalsContact O-N 3.17Å; K126-R129 PolarHBondContact O-N 3.46Å; S127-R129 VanDerWaalsContact C-N 3.3Å; S127-R129 PolarHBondContact O-N 2.93Å; R129-L132 PolarHBondContact O-N 3.49Å; R129-Q133 WeakPolarHBondContact O-CG 3.48Å; R129-Q133 PolarHBondContact O-N 3.14Å; R129-Q133 VanDerWaalsContact O-N 3.12Å |
| 130 | I | 97.7 | Very high | 97.4 | Very high | 68 Ų | 68 | 104.6 Ų | 104.6 | 35% | 0.349 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.8 | -48.3 | 178.1 | -69.8 | 168.9 | 0 | 0 | 0 | 109.7 | K126 S127 L132 Q133 E134 | K126-I130 HydrophobicContact CG-CD1 4.07Å; K126-I130 WeakPolarHBondContact O-CG1 3.43Å; K126-I130 PolarHBondContact O-N 3.34Å; S127-I130 PolarHBondContact O-N 3.48Å; S127-I130 VanDerWaalsContact O-N 3.13Å; I130-L132 VanDerWaalsContact C-N 3.31Å; I130-L132 PolarHBondContact O-N 3.03Å; I130-Q133 WeakPolarHBondContact O-CA 3.36Å; I130-Q133 WeakPolarHBondContact O-CB 3.36Å; I130-Q133 PolarHBondContact O-N 3.46Å; I130-E134 HydrophobicContact CG2-CG 4.29Å; I130-E134 WeakPolarHBondContact CG2-OE1 3.44Å; I130-E134 WeakPolarHBondContact O-CG 3.49Å; I130-E134 PolarHBondContact O-N 2.94Å |
| 131 | G | 97.9 | Very high | 97.3 | Very high | 27 Ų | 27 | 107.2 Ų | 107.2 | 28% | 0.278 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -57.1 | -42.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S127 Q133 E134 D135 | S127-G131 PolarHBondContact O-N 3.03Å; G131-Q133 VanDerWaalsContact C-N 3.32Å; G131-Q133 PolarHBondContact O-N 3.33Å; G131-E134 PolarHBondContact O-N 2.98Å; G131-D135 PolarHBondContact O-N 2.9Å |
| 132 | L | 97.6 | Very high | 97.2 | Very high | 108 Ų | 108 | 109.3 Ų | 109.3 | 57% | 0.565 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.9 | -36.1 | 175.5 | -178.8 | 61.6 | 0 | 0 | 0 | 112.8 | S128 R129 I130 L136 | S128-L132 PolarHBondContact O-N 2.92Å; S128-L132 VanDerWaalsContact O-N 3.1Å; R129-L132 PolarHBondContact O-N 3.49Å; I130-L132 VanDerWaalsContact C-N 3.31Å; I130-L132 PolarHBondContact O-N 3.03Å; L132-L136 HydrophobicContact CG-CD1 4.35Å; L132-L136 VanDerWaalsContact O-CG 3.23Å; L132-L136 WeakPolarHBondContact O-CG 3.49Å; L132-L136 PolarHBondContact O-N 3.5Å; L132-L136 VanDerWaalsContact O-N 3.14Å |
| 133 | Q | 97.8 | Very high | 97 | Very high | 104 Ų | 104 | 104.9 Ų | 104.9 | 49% | 0.486 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.7 | -43.8 | 176.8 | -72.8 | 177.2 | -46.6 | 0 | 0 | 111.3 | R129 I130 G131 D135 L136 E137 | R129-Q133 WeakPolarHBondContact O-CG 3.48Å; R129-Q133 PolarHBondContact O-N 3.14Å; R129-Q133 VanDerWaalsContact O-N 3.12Å; I130-Q133 WeakPolarHBondContact O-CA 3.36Å; I130-Q133 WeakPolarHBondContact O-CB 3.36Å; I130-Q133 PolarHBondContact O-N 3.46Å; G131-Q133 VanDerWaalsContact C-N 3.32Å; G131-Q133 PolarHBondContact O-N 3.33Å; Q133-D135 PolarHBondContact O-N 3.37Å; Q133-L136 PolarHBondContact O-N 2.97Å; Q133-E137 WeakPolarHBondContact O-CG 3.46Å; Q133-E137 PolarHBondContact O-N 3.44Å |
| 134 | E | 97.9 | Very high | 96.8 | Very high | 120 Ų | 120 | 103.4 Ų | 103.4 | 56% | 0.561 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -58.3 | -46.8 | 175.7 | -70.4 | 174.7 | 176.7 | 0 | 0 | 111.2 | I130 G131 L136 E137 E138 | I130-E134 HydrophobicContact CG2-CG 4.29Å; I130-E134 WeakPolarHBondContact CG2-OE1 3.44Å; I130-E134 WeakPolarHBondContact O-CG 3.49Å; I130-E134 PolarHBondContact O-N 2.94Å; G131-E134 PolarHBondContact O-N 2.98Å; E134-L136 PolarHBondContact O-N 3.49Å; E134-E137 PolarHBondContact O-N 3.42Å; E134-E138 WeakPolarHBondContact O-CB 3.28Å; E134-E138 PolarHBondContact O-N 3.37Å |
| 135 | D | 96.8 | Very high | 96.7 | Very high | 112 Ų | 112 | 103 Ų | 103 | 60% | 0.599 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60 | -42.7 | 176.6 | -76.1 | -14.3 | 0 | 0 | 0 | 112.4 | G131 Q133 E138 F139 | G131-D135 PolarHBondContact O-N 2.9Å; Q133-D135 PolarHBondContact O-N 3.37Å; D135-E138 PolarHBondContact O-N 3.05Å; D135-F139 WeakPolarHBondContact O-CB 3.41Å; D135-F139 PolarHBondContact O-N 3.46Å |
| 136 | L | 97.5 | Very high | 96.5 | Very high | 87 Ų | 87 | 104.7 Ų | 104.7 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.2 | -37.3 | 178.5 | -73.7 | 174.1 | 0 | 0 | 0 | 112 | L132 Q133 E134 R140 | L132-L136 HydrophobicContact CG-CD1 4.35Å; L132-L136 VanDerWaalsContact O-CG 3.23Å; L132-L136 WeakPolarHBondContact O-CG 3.49Å; L132-L136 PolarHBondContact O-N 3.5Å; L132-L136 VanDerWaalsContact O-N 3.14Å; Q133-L136 PolarHBondContact O-N 2.97Å; E134-L136 PolarHBondContact O-N 3.49Å; L136-R140 VanDerWaalsContact O-CG 3.27Å; L136-R140 WeakPolarHBondContact O-CG 3.16Å; L136-R140 PolarHBondContact O-N 2.85Å |
| 137 | E | 97 | Very high | 96.2 | Very high | 126 Ų | 126 | 105.3 Ų | 105.3 | 59% | 0.589 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68.5 | -43.4 | 175.4 | -73.8 | -178.8 | -170.4 | 0 | 0 | 111.8 | Q133 E134 F139 R140 K141 | Q133-E137 WeakPolarHBondContact O-CG 3.46Å; Q133-E137 PolarHBondContact O-N 3.44Å; E134-E137 PolarHBondContact O-N 3.42Å; E137-F139 VanDerWaalsContact C-N 3.34Å; E137-F139 PolarHBondContact O-N 3.01Å; E137-R140 PolarHBondContact O-N 3.26Å; E137-K141 WeakPolarHBondContact O-CB 3.43Å; E137-K141 PolarHBondContact O-N 2.87Å |
| 138 | E | 96.4 | Very high | 95.9 | Very high | 132 Ų | 132 | 107.3 Ų | 107.3 | 62% | 0.617 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -58.8 | -46.8 | 173.2 | -177.7 | 112.7 | -125.1 | 0 | 0 | 110.5 | E134 D135 R140 K141 E142 | E134-E138 WeakPolarHBondContact O-CB 3.28Å; E134-E138 PolarHBondContact O-N 3.37Å; D135-E138 PolarHBondContact O-N 3.05Å; E138-R140 PolarHBondContact O-N 2.99Å; E138-K141 PolarHBondContact O-N 3.13Å; E138-E142 WeakPolarHBondContact O-CB 3.43Å; E138-E142 PolarHBondContact O-N 2.88Å |
| 139 | F | 95.9 | Very high | 95.6 | Very high | 117 Ų | 117 | 110.4 Ų | 110.4 | 51% | 0.513 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -57.8 | -47.2 | 176.1 | -178.5 | -100.3 | 0 | 0 | 0 | 111.6 | D135 E137 K141 E142 Q143 | D135-F139 WeakPolarHBondContact O-CB 3.41Å; D135-F139 PolarHBondContact O-N 3.46Å; E137-F139 VanDerWaalsContact C-N 3.34Å; E137-F139 PolarHBondContact O-N 3.01Å; F139-K141 PolarHBondContact O-N 2.9Å; F139-E142 PolarHBondContact O-N 3.1Å; F139-Q143 HydrophobicContact CD1-CG 4.23Å; F139-Q143 HydrophobicContact CE1-CG 3.89Å; F139-Q143 HydrophobicContact CE2-CG 4.33Å; F139-Q143 VanDerWaalsContact CE2-NE2 3.34Å; F139-Q143 HydrophobicContact CZ-CG 3.95Å; F139-Q143 VanDerWaalsContact O-CG 3.27Å; F139-Q143 WeakPolarHBondContact O-CG 3.45Å; F139-Q143 PolarHBondContact O-N 2.98Å |
| 140 | R | 95.9 | Very high | 95.2 | Very high | 163 Ų | 163 | 108.4 Ų | 108.4 | 62% | 0.615 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59 | -48.3 | 177 | -74.2 | 170.2 | -176.9 | 179.1 | 2.6 | 111.7 | L136 E137 E138 E142 Q143 E144 | L136-R140 VanDerWaalsContact O-CG 3.27Å; L136-R140 WeakPolarHBondContact O-CG 3.16Å; L136-R140 PolarHBondContact O-N 2.85Å; E137-R140 PolarHBondContact O-N 3.26Å; E138-R140 PolarHBondContact O-N 2.99Å; R140-E142 VanDerWaalsContact C-N 3.32Å; R140-E142 PolarHBondContact O-N 3.17Å; R140-Q143 PolarHBondContact O-N 2.86Å; R140-E144 PolarHBondContact O-N 3.15Å |
| 141 | K | 96.2 | Very high | 94.7 | Very high | 124 Ų | 124 | 114.3 Ų | 114.3 | 54% | 0.539 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.9 | -39.5 | 179.3 | -170.5 | 179.9 | -172.9 | 176.5 | 0 | 111.8 | E137 E138 F139 E144 K145 | E137-K141 WeakPolarHBondContact O-CB 3.43Å; E137-K141 PolarHBondContact O-N 2.87Å; E138-K141 PolarHBondContact O-N 3.13Å; F139-K141 PolarHBondContact O-N 2.9Å; K141-E144 PolarHBondContact O-N 3.05Å; K141-K145 WeakPolarHBondContact O-CG 3.49Å; K141-K145 PolarHBondContact O-N 3.34Å |
| 142 | E | 94.2 | Very high | 94.2 | Very high | 86 Ų | 86 | 116.8 Ų | 116.8 | 40% | 0.402 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.9 | -42.9 | 177.4 | -158.9 | -153.3 | 177.4 | 0 | 0 | 111.7 | E138 F139 R140 E144 K145 K146 | E138-E142 WeakPolarHBondContact O-CB 3.43Å; E138-E142 PolarHBondContact O-N 2.88Å; F139-E142 PolarHBondContact O-N 3.1Å; R140-E142 VanDerWaalsContact C-N 3.32Å; R140-E142 PolarHBondContact O-N 3.17Å; E142-E144 VanDerWaalsContact C-N 3.34Å; E142-E144 PolarHBondContact O-N 3.05Å; E142-K145 PolarHBondContact O-N 3.38Å; E142-K146 WeakPolarHBondContact O-CG 3.44Å; E142-K146 PolarHBondContact O-N 3.34Å; E142-K146 WeakPolarHBondContact OE1-CE 3.42Å; E142-K146 IonicContact OE1-NZ 3.84Å; E142-K146 PolarHBondContact OE1-NZ 3.02Å; E142-K146 IonicContact OE2-NZ 2.75Å; E142-K146 PolarHBondContact OE2-NZ 3.43Å |
| 143 | Q | 94.1 | Very high | 93.5 | Very high | 64 Ų | 64 | 121.9 Ų | 121.9 | 30% | 0.299 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.6 | -41 | 176 | -67.4 | -58.5 | -28.9 | 0 | 0 | 111.9 | F139 R140 K146 K147 | F139-Q143 HydrophobicContact CD1-CG 4.23Å; F139-Q143 HydrophobicContact CE1-CG 3.89Å; F139-Q143 HydrophobicContact CE2-CG 4.33Å; F139-Q143 VanDerWaalsContact CE2-NE2 3.34Å; F139-Q143 HydrophobicContact CZ-CG 3.95Å; F139-Q143 VanDerWaalsContact O-CG 3.27Å; F139-Q143 WeakPolarHBondContact O-CG 3.45Å; F139-Q143 PolarHBondContact O-N 2.98Å; R140-Q143 PolarHBondContact O-N 2.86Å; Q143-K146 PolarHBondContact O-N 2.85Å; Q143-K147 WeakPolarHBondContact O-CG 3.15Å; Q143-K147 PolarHBondContact O-N 3.35Å |
| 144 | E | 94.5 | Very high | 92.3 | Very high | 115 Ų | 115 | 126.5 Ų | 126.5 | 54% | 0.537 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.7 | -45 | 175.1 | -73.1 | 178.7 | -177.1 | 0 | 0 | 112.2 | R140 K141 E142 K146 K147 Q148 | R140-E144 PolarHBondContact O-N 3.15Å; K141-E144 PolarHBondContact O-N 3.05Å; E142-E144 VanDerWaalsContact C-N 3.34Å; E142-E144 PolarHBondContact O-N 3.05Å; E144-K146 VanDerWaalsContact C-N 3.33Å; E144-K146 PolarHBondContact O-N 3.4Å; E144-K147 PolarHBondContact O-N 3.4Å; E144-Q148 WeakPolarHBondContact O-CG 3.32Å; E144-Q148 PolarHBondContact O-N 3.11Å |
| 145 | K | 94.3 | Very high | 90.2 | Very high | 105 Ų | 105 | 131.8 Ų | 131.8 | 46% | 0.457 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -59 | -42.5 | 174.3 | -73.5 | 172.6 | 179.5 | 176.3 | 0 | 111.8 | K141 E142 Q148 K149 | K141-K145 WeakPolarHBondContact O-CG 3.49Å; K141-K145 PolarHBondContact O-N 3.34Å; E142-K145 PolarHBondContact O-N 3.38Å; K145-Q148 PolarHBondContact O-N 3.04Å; K145-K149 WeakPolarHBondContact O-CB 3.36Å; K145-K149 WeakPolarHBondContact O-CG 3.45Å; K145-K149 PolarHBondContact O-N 3.12Å |
| 146 | K | 93 | Very high | 89.9 | Confident | 98 Ų | 98 | 132.8 Ų | 132.8 | 43% | 0.426 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -60.4 | -44.5 | 175.7 | -75.1 | 172.1 | -178.7 | 160.4 | 0 | 111.3 | E142 Q143 E144 K149 L150 | E142-K146 WeakPolarHBondContact O-CG 3.44Å; E142-K146 PolarHBondContact O-N 3.34Å; E142-K146 WeakPolarHBondContact OE1-CE 3.42Å; E142-K146 IonicContact OE1-NZ 3.84Å; E142-K146 PolarHBondContact OE1-NZ 3.02Å; E142-K146 IonicContact OE2-NZ 2.75Å; E142-K146 PolarHBondContact OE2-NZ 3.43Å; Q143-K146 PolarHBondContact O-N 2.85Å; E144-K146 VanDerWaalsContact C-N 3.33Å; E144-K146 PolarHBondContact O-N 3.4Å; K146-K149 PolarHBondContact O-N 2.75Å; K146-L150 PolarHBondContact O-N 3.16Å |
| 147 | K | 92.7 | Very high | 89.5 | Confident | 137 Ų | 137 | 135.2 Ų | 135.2 | 60% | 0.596 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63.4 | -43.2 | 175.9 | -70.5 | 174.4 | -176 | 178.7 | 0 | 112.3 | Q143 E144 L150 R151 | Q143-K147 WeakPolarHBondContact O-CG 3.15Å; Q143-K147 PolarHBondContact O-N 3.35Å; E144-K147 PolarHBondContact O-N 3.4Å; K147-L150 PolarHBondContact O-N 2.72Å; K147-R151 WeakPolarHBondContact O-CG 3.39Å; K147-R151 PolarHBondContact O-N 3.35Å |
| 148 | Q | 91.2 | Very high | 89.1 | Confident | 122 Ų | 122 | 135.7 Ų | 135.7 | 57% | 0.57 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64.4 | -41.8 | 177 | -69.9 | 175.9 | 18.4 | 0 | 0 | 112.2 | E144 K145 L150 R151 S152 | E144-Q148 WeakPolarHBondContact O-CG 3.32Å; E144-Q148 PolarHBondContact O-N 3.11Å; K145-Q148 PolarHBondContact O-N 3.04Å; Q148-L150 VanDerWaalsContact C-N 3.34Å; Q148-L150 PolarHBondContact O-N 3.15Å; Q148-R151 PolarHBondContact O-N 3.38Å; Q148-S152 PolarHBondContact O-N 2.96Å; Q148-S152 PolarHBondContact O-OG 2.95Å |
| 149 | K | 91.6 | Very high | 88.6 | Confident | 148 Ų | 148 | 135.9 Ų | 135.9 | 64% | 0.643 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -61.7 | -40.1 | 173.5 | -74.3 | -179.9 | -179.5 | -175.4 | 0 | 112.1 | K145 K146 S152 R153 | K145-K149 WeakPolarHBondContact O-CB 3.36Å; K145-K149 WeakPolarHBondContact O-CG 3.45Å; K145-K149 PolarHBondContact O-N 3.12Å; K146-K149 PolarHBondContact O-N 2.75Å; K149-S152 WeakPolarHBondContact CA-OG 3.31Å; K149-S152 PolarHBondContact O-OG 3.09Å; K149-R153 VanDerWaalsContact O-CG 3.32Å; K149-R153 WeakPolarHBondContact O-CG 3.27Å; K149-R153 PolarHBondContact O-N 3.24Å |
| 150 | L | 88.9 | Confident | 88.2 | Confident | 114 Ų | 114 | 137.1 Ų | 137.1 | 60% | 0.597 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -68.4 | -38.5 | 176.5 | -173.4 | 64.1 | 0 | 0 | 0 | 112.2 | K146 K147 Q148 R153 R154 | K146-L150 PolarHBondContact O-N 3.16Å; K147-L150 PolarHBondContact O-N 2.72Å; Q148-L150 VanDerWaalsContact C-N 3.34Å; Q148-L150 PolarHBondContact O-N 3.15Å; L150-R153 PolarHBondContact O-N 3.06Å; L150-R154 WeakPolarHBondContact O-CG 3.33Å |
| 151 | R | 87.7 | Confident | 87.7 | Confident | 192 Ų | 192 | 135.4 Ų | 135.4 | 73% | 0.725 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -66 | -43 | 176.8 | -72.6 | 176.6 | 72.6 | -170.8 | 2.6 | 112.2 | K147 Q148 R153 R154 | K147-R151 WeakPolarHBondContact O-CG 3.39Å; K147-R151 PolarHBondContact O-N 3.35Å; Q148-R151 PolarHBondContact O-N 3.38Å; R151-R153 VanDerWaalsContact C-N 3.27Å; R151-R153 PolarHBondContact O-N 3.27Å; R151-R154 PolarHBondContact O-N 2.91Å; R151-R154 VanDerWaalsContact O-N 3.16Å |
| 152 | S | 87.3 | Confident | 87.1 | Confident | 79 Ų | 79 | 136.2 Ų | 136.2 | 55% | 0.552 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67.7 | -23.1 | 177.7 | 48.2 | 0 | 0 | 0 | 0 | 113.8 | Q148 K149 R154 | Q148-S152 PolarHBondContact O-N 2.96Å; Q148-S152 PolarHBondContact O-OG 2.95Å; K149-S152 WeakPolarHBondContact CA-OG 3.31Å; K149-S152 PolarHBondContact O-OG 3.09Å; S152-R154 VanDerWaalsContact C-N 3.35Å |
| 153 | R | 82.5 | Confident | 86.5 | Confident | 215 Ų | 215 | 140.1 Ų | 140.1 | 81% | 0.811 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -9 | 173 | -68.9 | -179.9 | 80.6 | 161.9 | 7.4 | 114.2 | K149 L150 R151 | K149-R153 VanDerWaalsContact O-CG 3.32Å; K149-R153 WeakPolarHBondContact O-CG 3.27Å; K149-R153 PolarHBondContact O-N 3.24Å; L150-R153 PolarHBondContact O-N 3.06Å; R151-R153 VanDerWaalsContact C-N 3.27Å; R151-R153 PolarHBondContact O-N 3.27Å |
| 154 | R | 72.4 | Confident | 85.9 | Confident | 201 Ų | 201 | 146.4 Ų | 146.4 | 76% | 0.758 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | 2.7 | -179.2 | -74 | -179.5 | 69.6 | 159.6 | 2.4 | 113.2 | L150 R151 S152 | L150-R154 WeakPolarHBondContact O-CG 3.33Å; R151-R154 PolarHBondContact O-N 2.91Å; R151-R154 VanDerWaalsContact O-N 3.16Å; S152-R154 VanDerWaalsContact C-N 3.35Å |
| 155 | H | 54.7 | Low | 85.1 | Confident | 231 Ų | 231 | 149.3 Ų | 149.3 | 100% | 1.069 | 66% | 0.655 | S | S | * | * | trans | -118.6 | 0 | 170.1 | -76.2 | 4.8 | 0 | 0 | 0 | 108.2 |
Retrieved 155 of 155 residues in 34.1 ms
(Link to these results)